SMIRKS
[O:7]=[C:8]([C:9]([C:10]([C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]([H:28]):[C:17]:1[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36]>>[H]OC(=O)C(C([H])([H])[H])=[O:7].[H]N([H])[C:8]([H])([C:9]([C:10]([C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]([H:28]):[C:17]:1[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E807 - Reaction Operator E
[#6:18]-[#6:19](=[#8:20])-[H:35]>>[#6](-[#6](-[#6](=[#8])-[#8]-[H])=[#8:20])(-[H])(-[H])-[H].[#7](-[#6:19](-[#6:18])(-[H:35])-[H])(-[H])-[H]
EVODEX.1-C125 - Reaction Operator C
[#6:8]=[#8:10]>>[H]-[#7](-[H])-[#6@@:8]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:10]
EVODEX.1-N515 - Reaction Operator N
[#8:7]=[#6:8](-[#6:9])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:7].[H]-[#7](-[H])-[#6:8](-[H])(-[#6:9])-[H:23]
EVODEX.1-Em106 - Reaction Operator Em
[#8:11]=[#6:12]-[#6:13]>>[#6](=[#8])-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
EVODEX.1-Nm138 - Reaction Operator Nm
[#8:11]=[#6:12]-[#6:13]>>[#6]-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
Source Full Reactions
EVODEX.1-R3537
[H][C@@:2]([C:1]([H:22])([H:23])[H:24])([N:3]([H:18])[H:19])[C:4](=[O:5])[O:6][H:20].[O:7]=[C:8]([C:9]([C:10]([C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]([H:28]):[C:17]:1[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36]>>[C:1]([C:2]([C:4](=[O:5])[O:6][H:20])=[O:7])([H:22])([H:23])[H:24].[H][C:8]([N:3]([H:18])[H:19])([C:9]([C:10]([C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]([H:28]):[C:17]:1[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36]