SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:41]):[C:13]([H:42]):[C:14]([O:15][H:43]):[C:16]([H:44]):[C:17]:1[H:45])([H:46])[H:47])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]1:[C:24]([H:48]):[C:25]([H:49]):[C:26]([H:50]):[C:27]([H:51]):[C:28]:1[H:52])([H:53])[H:54])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65].[H][O:1][H:69]>>[O:1]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:41]):[C:13]([H:42]):[C:14]([O:15][H:43]):[C:16]([H:44]):[C:17]:1[H:45])([H:46])[H:47])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]1:[C:24]([H:48]):[C:25]([H:49]):[C:26]([H:50]):[C:27]([H:51]):[C:28]:1[H:52])([H:53])[H:54])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:69]
Derived Operators
EVODEX.1-F261 - Elemental Balance
| O | -2 |
| C | -2 |
| N | -1 |
| H | -5 |
EVODEX.1-M90 - Mass Difference
-75.03205000000001
EVODEX.1-E990 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:1](-[H:26])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:26]
EVODEX.1-C544 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29].[H]-[#8:36]>>[#6:29]-[#8:36]
EVODEX.1-N695 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29](-[#6:2])=[#8:30].[H]-[#8:36]-[H:86]>>[#6:2]-[#6:29](=[#8:30])-[#8:36]-[H:86]
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-R5671
[O:2]=[C:3]([O:4][H:40])[C:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:41]):[C:13]([H:42]):[C:14]([O:15][H:43]):[C:16]([H:44]):[C:17]:1[H:45])([H:46])[H:47])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]1:[C:24]([H:48]):[C:25]([H:49]):[C:26]([H:50]):[C:27]([H:51]):[C:28]:1[H:52])([H:53])[H:54])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([H:67])[H:68].[H][O:1][H:69]>>[H][N:6]([C:5]([C:3](=[O:2])[O:4][H:40])([H:67])[H:68])[H:66].[O:1]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:41]):[C:13]([H:42]):[C:14]([O:15][H:43]):[C:16]([H:44]):[C:17]:1[H:45])([H:46])[H:47])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]1:[C:24]([H:48]):[C:25]([H:49]):[C:26]([H:50]):[C:27]([H:51]):[C:28]:1[H:52])([H:53])[H:54])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:69]