SMIRKS
[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44]>>[H]N([H])[C@@:6]([H])([C:5]([C:4]([C:2]([N:1]([H:43])[H:44])=[O:3])([H:41])[H:42])([H:39])[H:40])[C:8](=[O:9])[O:10][H:38].[H]OC(=O)C(C([H])([H])C1:C([H]):N([H]):C2:C([H]):C([H]):C([H]):C([H]):C:1:2)=[O:7]
Derived Operators
EVODEX.1-F89 - Elemental Balance
| O | 2 |
| C | 11 |
| N | 2 |
| H | 12 |
EVODEX.1-M107 - Mass Difference
204.08996
EVODEX.1-E661 - Reaction Operator E
[#6:21]-[#6:22](=[#8:23])-[#6:24]=[#8:25]>>[#6](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:23].[#7](-[#6:22](-[#6:21])(-[#6:24]=[#8:25])-[H])(-[H])-[H]
EVODEX.1-C437 - Reaction Operator C
[#6:6]=[#8:7]>>[H]-[#7](-[H])-[#6@@:6]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)=[#8:7]
EVODEX.1-N529 - Reaction Operator N
[#6:5]-[#6:6](=[#8:7])-[#6:8]>>[H]-[#7](-[H])-[#6@@:6](-[H])(-[#6:5])-[#6:8].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)=[#8:7]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3800
[H][C@:12]([N:11]([H:36])[H:37])([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])[C:23](=[O:24])[O:25][H:34].[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44]>>[H][C@:6]([C:5]([C:4]([C:2]([N:1]([H:43])[H:44])=[O:3])([H:41])[H:42])([H:39])[H:40])([C:8](=[O:9])[O:10][H:38])[N:11]([H:36])[H:37].[O:7]=[C:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])[C:23](=[O:24])[O:25][H:34]