SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([N:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]([H:51]):[C:25]:1[H:52])([H:53])[H:54])[H:55])[H:56])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H].[H][O:34][H:71]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([N:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]([H:51]):[C:25]:1[H:52])([H:53])[H:54])[H:55])[H:56])[O:34][H:71]
Derived Operators
EVODEX.1-F490 - Elemental Balance
| O | -3 |
| C | -9 |
| N | -2 |
| H | -18 |
EVODEX.1-M168 - Mass Difference
-202.13184
EVODEX.1-E1308 - 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].[#8:28](-[H:54])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8:28]-[H:54]
EVODEX.1-C631 - 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]-[#8:40]>>[#6:7]-[#8:40]
EVODEX.1-N786 - 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]-[#8:40]-[H:77]>>[#6:7](=[#8:8])(-[#6@:9])-[#8:40]-[H:77]
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-R6094
[C:1]([C:2]([C:3]([H:35])([H:36])[H:37])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([N:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]([H:51]):[C:25]:1[H:52])([H:53])[H:54])[H:55])[H:56])[H:57])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([H:58])([H:59])[H:60])([C:31](=[O:32])[O:33][H:61])[H:62])[H:63])[H:64])([H:65])[H:66])[H:67])([H:68])([H:69])[H:70].[H][O:34][H:71]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([N:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]([H:51]):[C:25]:1[H:52])([H:53])[H:54])[H:55])[H:56])[O:34][H:71].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:68])([H:69])[H:70])([C:3]([H:35])([H:36])[H:37])[H:67])([H:65])[H:66])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([H:58])([H:59])[H:60])([C:31](=[O:32])[O:33][H:61])[H:62])[H:63])[H:64])[H:57]