SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@:16]([C:17]([C:18]2:[C:19]([H:88]):[C:20]([H:89]):[C:21]([O:22][H:90]):[C:23]([H:91]):[C:24]:2[H:92])([H:93])[H:94])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:95])[H:96])=[O:32])([H:97])[H:98])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:99])[H:100])=[O:41])([H:101])[H:102])([H:103])[H:104])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]([C:48]([H:105])([H:106])[H:107])([C:49]([H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([N:50]([C:51](=[O:52])[C@@:53]([N:54]([H:114])[H:115])([C:55]([C:56]([H:116])([H:117])[H:118])([C:57]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H].[H][O:77][H:158]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:88]):[C:20]([H:89]):[C:21]([O:22][H:90]):[C:23]([H:91]):[C:24]:1[H:92])([H:93])[H:94])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:95])[H:96])=[O:32])([H:97])[H:98])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:99])[H:100])=[O:41])([H:101])[H:102])([H:103])[H:104])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]([C:48]([H:105])([H:106])[H:107])([C:49]([H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([N:50]([C:51](=[O:52])[C@@:53]([N:54]([H:114])[H:115])([C:55]([C:56]([H:116])([H:117])[H:118])([C:57]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[O:77][H:158]
Derived Operators
EVODEX.1-F531 - Elemental Balance
| O | -6 |
| C | -21 |
| N | -5 |
| H | -37 |
EVODEX.1-M503 - Mass Difference
-455.27461000000005
EVODEX.1-E1350 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:74](-[H:152])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:74]-[H:152]
EVODEX.1-C663 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:74]>>[#6:14]-[#8:74]
EVODEX.1-N820 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:74]-[H:152]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:74]-[H:152]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R6090
[C:1]([C:2]([C@:3]([C:4]([H:78])([H:79])[H:80])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:81])[C:10]([H:82])([H:83])[C:11]([H:84])([H:85])[C:12]([H:86])([H:87])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:88]):[C:20]([H:89]):[C:21]([O:22][H:90]):[C:23]([H:91]):[C:24]:1[H:92])([H:93])[H:94])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:95])[H:96])=[O:32])([H:97])[H:98])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:99])[H:100])=[O:41])([H:101])[H:102])([H:103])[H:104])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]([C:48]([H:105])([H:106])[H:107])([C:49]([H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([N:50]([C:51](=[O:52])[C@@:53]([N:54]([H:114])[H:115])([C:55]([C:56]([H:116])([H:117])[H:118])([C:57]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[H:132])([C:58](=[O:59])[N:60]([C@:61]([C:62](=[O:63])[N:64]([C@@:65]([C:66]([C:67]([C:68]([N:69]([H:133])[H:134])=[O:70])([H:135])[H:136])([H:137])[H:138])([C:71](=[O:72])[O:73][H:139])[H:140])[H:141])([C:74]([C:75]([H:142])([H:143])[H:144])([C:76]([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][O:77][H:158]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:88]):[C:20]([H:89]):[C:21]([O:22][H:90]):[C:23]([H:91]):[C:24]:1[H:92])([H:93])[H:94])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:95])[H:96])=[O:32])([H:97])[H:98])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:99])[H:100])=[O:41])([H:101])[H:102])([H:103])[H:104])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]([C:48]([H:105])([H:106])[H:107])([C:49]([H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([N:50]([C:51](=[O:52])[C@@:53]([N:54]([H:114])[H:115])([C:55]([C:56]([H:116])([H:117])[H:118])([C:57]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[O:77][H:158].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:155])([H:156])[H:157])([H:153])[H:154])([C:4]([H:78])([H:79])[H:80])[H:152])([C:58](=[O:59])[N:60]([C@:61]([C:62](=[O:63])[N:64]([C@@:65]([C:66]([C:67]([C:68]([N:69]([H:133])[H:134])=[O:70])([H:135])[H:136])([H:137])[H:138])([C:71](=[O:72])[O:73][H:139])[H:140])[H:141])([C:74]([C:75]([H:142])([H:143])[H:144])([C:76]([H:145])([H:146])[H:147])[H:148])[H:149])[H:150])[H:151])[H:132])=[O:8])([H:81])[C:10]([H:82])([H:83])[C:11]([H:84])([H:85])[C:12]1([H:86])[H:87]