SMIRKS
O=[C:3]([C:2]([C:1]([H:21])([H:22])[H:23])([H:19])[H:20])[C:5](=[O:6])[O:7][H:18].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N:8]([H:36])[H:37]>>[H][C:3]([C:2]([C:1]([H:21])([H:22])[H:23])([H:19])[H:20])([C:5](=[O:6])[O:7][H:18])[N:8]([H:36])[H:37]
Derived Operators
EVODEX.1-F140 - Elemental Balance
| O | -3 |
| C | -6 |
| N | -1 |
| H | -11 |
EVODEX.1-M247 - Mass Difference
-145.07393
EVODEX.1-E795 - Reaction Operator E
[#6:4]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7:16](-[H:28])-[H:29])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:4]-[#6@@:5](-[#6:7]=[#8:8])(-[#7:16](-[H:28])-[H:29])-[H]
EVODEX.1-C457 - Reaction Operator C
[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#7:16]>>[H]-[#6@:5]-[#7:16]
EVODEX.1-N554 - Reaction Operator N
[#8]=[#6:5](-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#7:16](-[H:28])-[H:29]>>[H]-[#6@:5](-[#6:4])(-[#6:7])-[#7:16](-[H:28])-[H:29]
EVODEX.1-Em811 - Reaction Operator Em
[#8]=[#6:3](-[#6:2])-[#6:5]=[#8:6].[#6]-[#6](-[H])(-[H])-[#7:8]>>[H]-[#6:3](-[#6:2])(-[#6:5]=[#8:6])-[#7:8]
EVODEX.1-Nm729 - Reaction Operator Nm
[#8]=[#6:3](-[#6:2])-[#6:5].[#6]-[#6](-[H])(-[H])-[#7:8]>>[H]-[#6:3](-[#6:2])(-[#6:5])-[#7:8]
Source Full Reactions
EVODEX.1-R3666
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:18])([H:19])[H:20])([H:21])([H:22])[H:23].[H][C:9]([N:8]([H:36])[H:37])([C:10]([C:11]([C:12]([C@:13]([N:14]([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34]>>[H][C:3]([C:2]([C:1]([H:21])([H:22])[H:23])([H:19])[H:20])([C:5](=[O:6])[O:7][H:18])[N:8]([H:36])[H:37].[O:4]=[C:9]([C:10]([C:11]([C:12]([C@:13]([N:14]([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34]