SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:24]):[C:19]([H:25]):[C:20]([H:26]):[C:21]([H:27]):[C:22]:1[H:28])[H:29])([H:30])[H:31].[H][O:1][H:38]>>[O:1]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:24]):[C:19]([H:25]):[C:20]([H:26]):[C:21]([H:27]):[C:22]:1[H:28])[H:29])([H:30])[H:31])[H:38]
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-R5644
[O:2]=[C:3]([O:4][H:23])[C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:24]):[C:19]([H:25]):[C:20]([H:26]):[C:21]([H:27]):[C:22]:1[H:28])[H:29])([H:30])[H:31])[H:32])([H:33])[H:34])[H:35])([H:36])[H:37].[H][O:1][H:38]>>[H][N:10]([C:9]([C:7]([N:6]([C:5]([C:3](=[O:2])[O:4][H:23])([H:36])[H:37])[H:35])=[O:8])([H:33])[H:34])[H:32].[O:1]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:24]):[C:19]([H:25]):[C:20]([H:26]):[C:21]([H:27]):[C:22]:1[H:28])[H:29])([H:30])[H:31])[H:38]