SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([C:18](=[O:19])[C@:20]([C:21]([H:52])([H:53])[H:54])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]([H:58]):[C:32]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([C:18](=[O:19])[C@:20]([C:21]([H:52])([H:53])[H:54])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]([H:58]):[C:32]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65]
Derived Operators
EVODEX.1-F487 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -2 |
| H | -16 |
EVODEX.1-M167 - Mass Difference
-184.12128
EVODEX.1-E1304 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6:7](=[#8:8])-[#6:9])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8]-[H]
EVODEX.1-C585 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N741 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6@:9])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7](=[#8:8])-[#6@:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6110
[C:1]([C:2]([C:3]([H:42])([H:43])[H:44])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([C:18](=[O:19])[C@:20]([C:21]([H:52])([H:53])[H:54])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]([H:58]):[C:32]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([C:33](=[O:34])[N:35]([C@@:36]([C:37]([H:67])([H:68])[H:69])([C:38](=[O:39])[O:40][H:70])[H:71])[H:72])[H:73])([H:74])[H:75])[H:76])([H:77])([H:78])[H:79].[H][O:41][H:80]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([C:18](=[O:19])[C@:20]([C:21]([H:52])([H:53])[H:54])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]([H:58]):[C:32]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[O:41][H:80].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:77])([H:78])[H:79])([C:3]([H:42])([H:43])[H:44])[H:76])([H:74])[H:75])([C:33](=[O:34])[N:35]([C@@:36]([C:37]([H:67])([H:68])[H:69])([C:38](=[O:39])[O:40][H:70])[H:71])[H:72])[H:73])[H:66]