SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])[H])C([H])([H])C1:C([H]):N([H]):C2:C([H]):C([H]):C([H]):C([H]):C:1:2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:64]([C@@:58]([N:57]([C:55]([C@@:47]([N:46]([C:44]([C@:4]([C:2]([C:1]([H:241])([H:242])[H:243])([C:3]([H:128])([H:129])[H:130])[H:240])([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:131])([H:132])[H:133])([N:10]([C:11](=[O:12])[C@:13]([C:14]([O:15][H:134])([H:135])[H:136])([N:16]([C:17](=[O:18])[C@@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]1:[C:26]([H:137]):[N:27]([H:138]):[C:28]2:[C:29]([H:139]):[C:30]([H:140]):[C:31]([H:141]):[C:32]([H:142]):[C:33]:1:2)([H:143])[H:144])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:145])[H:146])([C:39]([O:40][H:147])([H:148])[H:149])[H:150])[H:151])[H:152])[H:153])([C@@:41]([C:42]([H:154])([H:155])[H:156])([O:43][H:157])[H:158])[H:159])[H:160])[H:161])[H:162])[H:163])[H:164])[H:239])=[O:45])[H:238])([C:48]([C:49]1:[C:50]([H:165]):[C:51]([H:166]):[C:52]([H:167]):[C:53]([H:168]):[C:54]:1[H:169])([H:170])[H:171])[H:237])=[O:56])[H:236])([C:59]([C:60]([C:61]([N:62]([H:172])[H:173])=[O:63])([H:174])[H:175])([H:176])[H:177])[H:235])=[O:65])C([H])([H])O[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H].[H][O:127][H:244]>>[C:1]([C:2]([C:3]([H:128])([H:129])[H:130])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:131])([H:132])[H:133])([N:10]([C:11](=[O:12])[C@:13]([C:14]([O:15][H:134])([H:135])[H:136])([N:16]([C:17](=[O:18])[C@@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]1:[C:26]([H:137]):[N:27]([H:138]):[C:28]2:[C:29]([H:139]):[C:30]([H:140]):[C:31]([H:141]):[C:32]([H:142]):[C:33]:1:2)([H:143])[H:144])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:145])[H:146])([C:39]([O:40][H:147])([H:148])[H:149])[H:150])[H:151])[H:152])[H:153])([C@@:41]([C:42]([H:154])([H:155])[H:156])([O:43][H:157])[H:158])[H:159])[H:160])[H:161])[H:162])[H:163])[H:164])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:165]):[C:51]([H:166]):[C:52]([H:167]):[C:53]([H:168]):[C:54]:1[H:169])([H:170])[H:171])([C:55](=[O:56])[N:57]([C@@:58]([C:59]([C:60]([C:61]([N:62]([H:172])[H:173])=[O:63])([H:174])[H:175])([H:176])[H:177])([C:64](=[O:65])[O:127][H:244])[H:235])[H:236])[H:237])[H:238])[H:239])[H:240])([H:241])([H:242])[H:243]
Derived Operators
EVODEX.1-F529 - Elemental Balance
| O | -9 |
| C | -40 |
| N | -12 |
| H | -58 |
EVODEX.1-M501 - Mass Difference
-850.44544
EVODEX.1-E1348 - Reaction Operator E
[#6:65](-[#6@@:59])(=[#8:66])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])-[H])-[H])-[H].[#8:128](-[H:245])-[H]>>[#6:65](-[#6@@:59])(=[#8:66])-[#8:128]-[H:245]
EVODEX.1-C920 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#8]-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:67])-[#6](-[H])(-[H])-[#8]-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:130]>>[#6:67]-[#8:130]
EVODEX.1-N1148 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#8]-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:67](-[#6@@:61])=[#8:68])-[#6](-[H])(-[H])-[#8]-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:130]-[H:248]>>[#6:67](-[#6@@:61])(=[#8:68])-[#8:130]-[H:248]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6014
[C:1]([C:2]([C:3]([H:128])([H:129])[H:130])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:131])([H:132])[H:133])([N:10]([C:11](=[O:12])[C@:13]([C:14]([O:15][H:134])([H:135])[H:136])([N:16]([C:17](=[O:18])[C@@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]1:[C:26]([H:137]):[N:27]([H:138]):[C:28]2:[C:29]([H:139]):[C:30]([H:140]):[C:31]([H:141]):[C:32]([H:142]):[C:33]:1:2)([H:143])[H:144])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:145])[H:146])([C:39]([O:40][H:147])([H:148])[H:149])[H:150])[H:151])[H:152])[H:153])([C@@:41]([C:42]([H:154])([H:155])[H:156])([O:43][H:157])[H:158])[H:159])[H:160])[H:161])[H:162])[H:163])[H:164])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:165]):[C:51]([H:166]):[C:52]([H:167]):[C:53]([H:168]):[C:54]:1[H:169])([H:170])[H:171])([C:55](=[O:56])[N:57]([C@@:58]([C:59]([C:60]([C:61]([N:62]([H:172])[H:173])=[O:63])([H:174])[H:175])([H:176])[H:177])([C:64](=[O:65])[N:66]([C@@:67]([C:68]([O:69][H:178])([H:179])[H:180])([C:70](=[O:71])[N:72]([C:73]([C:74](=[O:75])[N:76]([C@@:77]([C:78]([C:79]1:[C:80]([H:181]):[C:81]([H:182]):[C:82]([H:183]):[C:83]([H:184]):[C:84]:1[H:185])([H:186])[H:187])([C:85](=[O:86])[N:87]([C@@:88]([C:89]([C:90]([C:91]([N:92]([C:93](=[N:94][H:188])[N:95]([H:189])[H:190])[H:191])([H:192])[H:193])([H:194])[H:195])([H:196])[H:197])([C:96](=[O:97])[N:98]([C@@:99]([C:100]([C:101]([C:102]([C:103]([N:104]([H:198])[H:199])([H:200])[H:201])([H:202])[H:203])([H:204])[H:205])([H:206])[H:207])([C:105](=[O:106])[N:107]([C@@:108]([C:109]([C:110]1:[C:111]([H:208]):[N:112]([H:209]):[C:113]2:[C:114]([H:210]):[C:115]([H:211]):[C:116]([H:212]):[C:117]([H:213]):[C:118]:1:2)([H:214])[H:215])([C:119](=[O:120])[N:121]([C@@:122]([C:123]([H:216])([H:217])[H:218])([C:124](=[O:125])[O:126][H:219])[H:220])[H:221])[H:222])[H:223])[H:224])[H:225])[H:226])[H:227])[H:228])[H:229])([H:230])[H:231])[H:232])[H:233])[H:234])[H:235])[H:236])[H:237])[H:238])[H:239])[H:240])([H:241])([H:242])[H:243].[H][O:127][H:244]>>[C:1]([C:2]([C:3]([H:128])([H:129])[H:130])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:131])([H:132])[H:133])([N:10]([C:11](=[O:12])[C@:13]([C:14]([O:15][H:134])([H:135])[H:136])([N:16]([C:17](=[O:18])[C@@:19]([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25]1:[C:26]([H:137]):[N:27]([H:138]):[C:28]2:[C:29]([H:139]):[C:30]([H:140]):[C:31]([H:141]):[C:32]([H:142]):[C:33]:1:2)([H:143])[H:144])([N:34]([C:35](=[O:36])[C@@:37]([N:38]([H:145])[H:146])([C:39]([O:40][H:147])([H:148])[H:149])[H:150])[H:151])[H:152])[H:153])([C@@:41]([C:42]([H:154])([H:155])[H:156])([O:43][H:157])[H:158])[H:159])[H:160])[H:161])[H:162])[H:163])[H:164])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:165]):[C:51]([H:166]):[C:52]([H:167]):[C:53]([H:168]):[C:54]:1[H:169])([H:170])[H:171])([C:55](=[O:56])[N:57]([C@@:58]([C:59]([C:60]([C:61]([N:62]([H:172])[H:173])=[O:63])([H:174])[H:175])([H:176])[H:177])([C:64](=[O:65])[O:127][H:244])[H:235])[H:236])[H:237])[H:238])[H:239])[H:240])([H:241])([H:242])[H:243].[H][N:66]([C@@:67]([C:68]([O:69][H:178])([H:179])[H:180])([C:70](=[O:71])[N:72]([C:73]([C:74](=[O:75])[N:76]([C@@:77]([C:78]([C:79]1:[C:80]([H:181]):[C:81]([H:182]):[C:82]([H:183]):[C:83]([H:184]):[C:84]:1[H:185])([H:186])[H:187])([C:85](=[O:86])[N:87]([C@@:88]([C:89]([C:90]([C:91]([N:92]([C:93](=[N:94][H:188])[N:95]([H:189])[H:190])[H:191])([H:192])[H:193])([H:194])[H:195])([H:196])[H:197])([C:96](=[O:97])[N:98]([C@@:99]([C:100]([C:101]([C:102]([C:103]([N:104]([H:198])[H:199])([H:200])[H:201])([H:202])[H:203])([H:204])[H:205])([H:206])[H:207])([C:105](=[O:106])[N:107]([C@@:108]([C:109]([C:110]1:[C:111]([H:208]):[N:112]([H:209]):[C:113]2:[C:114]([H:210]):[C:115]([H:211]):[C:116]([H:212]):[C:117]([H:213]):[C:118]:1:2)([H:214])[H:215])([C:119](=[O:120])[N:121]([C@@:122]([C:123]([H:216])([H:217])[H:218])([C:124](=[O:125])[O:126][H:219])[H:220])[H:221])[H:222])[H:223])[H:224])[H:225])[H:226])[H:227])[H:228])[H:229])([H:230])[H:231])[H:232])[H:233])[H:234]