SMIRKS
[H]N([H])[C@@:5]([C:4]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:20])([H:21])[H:22])[H:29])([H:27])[H:28])([C:7](=[O:8])[O:9][H:25])[H:26].[H][N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:33])[H:34])([C:17](=[O:18])[O:19][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41]>>[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C@@:5]([C:7](=[O:8])[O:9][H:25])([N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:33])[H:34])([C:17](=[O:18])[O:19][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41])[H:26])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E632 - Reaction Operator E
[#7](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[H])-[H].[#7:15](-[#6:16])(-[H:46])-[H]>>[#7:15](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[#6:16])-[H:46]
EVODEX.1-N1524 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:5](-[#6:4])(-[#6:7])-[H:26].[H]-[#7:10](-[#6:11])-[H:41]>>[#6:4]-[#6@@:5](-[#6:7])(-[#7:10](-[#6:11])-[H:41])-[H:26]
EVODEX.1-Em810 - Reaction Operator Em
[H]-[#7](-[H])-[#6:6](-[#6:5])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8]
EVODEX.1-Nm727 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:6](-[#6:5])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8]
Source Full Reactions
EVODEX.1-R2879
[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C@:5]([N:6]([H:23])[H:24])([C:7](=[O:8])[O:9][H:25])[H:26])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32].[H][N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:33])[H:34])([C:17](=[O:18])[O:19][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41]>>[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C@@:5]([C:7](=[O:8])[O:9][H:25])([N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:33])[H:34])([C:17](=[O:18])[O:19][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41])[H:26])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32].[H][N:6]([H:23])[H:24]