SMIRKS
O=[C:5]([C:4]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([H:20])([H:21])[H:22])[H:26])([H:24])[H:25])[C:7](=[O:8])[O:9][H:23].[H]OC(=O)C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[N:16]([H:30])[H:31]>>[H][C@:5]([C:4]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([H:20])([H:21])[H:22])[H:26])([H:24])[H:25])([C:7](=[O:8])[O:9][H:23])[N:16]([H:30])[H:31]
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-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3751
[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:23])([H:24])[H:25])[H:26])([H:27])([H:28])[H:29].[H][C:15]([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([N:16]([H:30])[H:31])[C:17](=[O:18])[O:19][H:32]>>[H][C@:5]([C:4]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([H:20])([H:21])[H:22])[H:26])([H:24])[H:25])([C:7](=[O:8])[O:9][H:23])[N:16]([H:30])[H:31].[O:6]=[C:15]([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:17](=[O:18])[O:19][H:32]