SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:15]([C:14]([N:13]([S:10]([C:9]1:[C:8]2:[C:7]([H:36]):[C:6]([H:35]):[C:5]([H:34]):[C:4]([N:2]([C:1]([H:50])([H:51])[H:52])[C:3]([H:31])([H:32])[H:33]):[C:29]:2:[C:28]([H:49]):[C:27]([H:48]):[C:26]:1[H:47])(=[O:11])=[O:12])[H:46])([H:44])[H:45])=[O:16].[H][O:30][H:53]>>[C:1]([N:2]([C:3]([H:31])([H:32])[H:33])[C:4]1:[C:5]([H:34]):[C:6]([H:35]):[C:7]([H:36]):[C:8]2:[C:9]([S:10](=[O:11])(=[O:12])[N:13]([C:14]([C:15](=[O:16])[O:30][H:53])([H:44])[H:45])[H:46]):[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]:1:2)([H:50])([H:51])[H:52]
Derived Operators
EVODEX.1-F436 - Elemental Balance
| O | -3 |
| C | -4 |
| N | -2 |
| H | -8 |
EVODEX.1-M79 - Mass Difference
-132.05354
EVODEX.1-E1243 - Reaction Operator E
[#6:3]-[#6:4](=[#8:5])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H].[#8:18](-[H:32])-[H]>>[#6:3]-[#6:4](=[#8:5])-[#8:18]-[H:32]
EVODEX.1-C562 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:15].[H]-[#8:30]>>[#6:15]-[#8:30]
EVODEX.1-N715 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:15](-[#6:14])=[#8:16].[H]-[#8:30]-[H:53]>>[#6:14]-[#6:15](=[#8:16])-[#8:30]-[H:53]
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-R5650
[C:1]([N:2]([C:3]([H:31])([H:32])[H:33])[C:4]1:[C:5]([H:34]):[C:6]([H:35]):[C:7]([H:36]):[C:8]2:[C:9]([S:10](=[O:11])(=[O:12])[N:13]([C:14]([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[O:25][H:37])([H:38])[H:39])[H:40])([H:41])[H:42])[H:43])([H:44])[H:45])[H:46]):[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]:1:2)([H:50])([H:51])[H:52].[H][O:30][H:53]>>[C:1]([N:2]([C:3]([H:31])([H:32])[H:33])[C:4]1:[C:5]([H:34]):[C:6]([H:35]):[C:7]([H:36]):[C:8]2:[C:9]([S:10](=[O:11])(=[O:12])[N:13]([C:14]([C:15](=[O:16])[O:30][H:53])([H:44])[H:45])[H:46]):[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]:1:2)([H:50])([H:51])[H:52].[H][N:17]([C:18]([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[O:25][H:37])([H:38])[H:39])[H:40])([H:41])[H:42])[H:43]