SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:77][P:74]([O:73][C:72]([C@@:71]([C:70]([O:69][C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([H:263])([H:264])[H:265])([H:261])[H:262])([H:259])[H:260])([H:257])[H:258])([H:255])[H:256])([H:253])[H:254])([H:251])[H:252])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])=[O:68])([H:237])[H:238])([O:98][C:99](=[O:100])[C:101]([C:102]([C:103]([C:104]([C:105]([C:106]([C:107]([C:108]([C:109]([C:110]([C:111]([C:112]([C:113]([H:209])([H:210])[H:211])([H:212])[H:213])([H:214])[H:215])([H:216])[H:217])([H:218])[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:207])[H:208])(=[O:75])[O:76][H:193]>>[H][O:77][P:74]([O:73][C:72]([C@@:71]([C:70]([O:69][C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([H:263])([H:264])[H:265])([H:261])[H:262])([H:259])[H:260])([H:257])[H:258])([H:255])[H:256])([H:253])[H:254])([H:251])[H:252])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])=[O:68])([H:237])[H:238])([O:98][C:99](=[O:100])[C:101]([C:102]([C:103]([C:104]([C:105]([C:106]([C:107]([C:108]([C:109]([C:110]([C:111]([C:112]([C:113]([H:209])([H:210])[H:211])([H:212])[H:213])([H:214])[H:215])([H:216])[H:217])([H:218])[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:207])[H:208])(=[O:75])[O:76][H:193]
Derived Operators
EVODEX.1-F458 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -9 |
| N | -3 |
| H | -12 |
EVODEX.1-M440 - Mass Difference
-305.04136
EVODEX.1-E1268 - Reaction Operator E
[#15:74]-[#8:77]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#15:74]-[#8:77]-[H]
EVODEX.1-C479 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:77]>>[H]-[#8:77]
EVODEX.1-N583 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:77]-[#15:74]>>[H]-[#8:77]-[#15:74]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R4545
[H][O:33][C:32]([C:30]([C:29]([O:28][P:25]([O:24][C:23]([C:22]([C:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:190])([H:191])[H:192])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])[H:175])[H:174])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])=[O:19])([H:158])[H:159])([O:34][C:35](=[O:36])[C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44](=[C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])[H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[H:156])[H:157])([H:122])[H:123])(=[O:26])[O:27][H:114])([H:120])[H:121])([O:31][H:115])[H:119])([H:117])[H:118].[C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67](=[O:68])[O:69][C:70]([C@:71]([C:72]([O:73][P:74](=[O:75])([O:76][H:193])[O:77][P:78](=[O:79])([O:80][H:194])[O:81][C:82]([C@@:83]1([H:195])[O:84][C@:85]([N:86]2:[C:87]([H:196]):[C:88]([H:197]):[C:89]([N:90]([H:198])[H:199]):[N:91]:[C:92]:2=[O:93])([H:200])[C@@:94]([O:95][H:201])([H:202])[C@@:96]1([O:97][H:203])[H:204])([H:205])[H:206])([H:207])[H:208])([O:98][C:99](=[O:100])[C:101]([C:102]([C:103]([C:104]([C:105]([C:106]([C:107]([C:108]([C:109]([C:110]([C:111]([C:112]([C:113]([H:209])([H:210])[H:211])([H:212])[H:213])([H:214])[H:215])([H:216])[H:217])([H:218])[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:244])([H:245])[H:246])([H:247])[H:248])([H:249])[H:250])([H:251])[H:252])([H:253])[H:254])([H:255])[H:256])([H:257])[H:258])([H:259])[H:260])([H:261])[H:262])([H:263])([H:264])[H:265]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:114])[O:28][C:29]([C:30]([O:31][H:115])([C:32]([O:33][P:78](=[O:79])([O:80][H:194])[O:81][C:82]([C@@:83]1([H:195])[O:84][C@:85]([N:86]2:[C:87]([H:196]):[C:88]([H:197]):[C:89]([N:90]([H:198])[H:199]):[N:91]:[C:92]:2=[O:93])([H:200])[C@@:94]([O:95][H:201])([H:202])[C@@:96]1([O:97][H:203])[H:204])([H:205])[H:206])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([O:34][C:35](=[O:36])[C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44](=[C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])[H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])([H:190])([H:191])[H:192].[H][O:77][P:74]([O:73][C:72]([C@@:71]([C:70]([O:69][C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([H:263])([H:264])[H:265])([H:261])[H:262])([H:259])[H:260])([H:257])[H:258])([H:255])[H:256])([H:253])[H:254])([H:251])[H:252])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])=[O:68])([H:237])[H:238])([O:98][C:99](=[O:100])[C:101]([C:102]([C:103]([C:104]([C:105]([C:106]([C:107]([C:108]([C:109]([C:110]([C:111]([C:112]([C:113]([H:209])([H:210])[H:211])([H:212])[H:213])([H:214])[H:215])([H:216])[H:217])([H:218])[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:207])[H:208])(=[O:75])[O:76][H:193]