SMIRKS
O=[C:7]([C:6]([C:5]([C:4]([C:3]([N:2]([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])[C:9](=[O:10])[O:11][H:14].[H][N:1]([H:25])[H:26].[H][O:12][O:13][H]>>[H][C@:7]([N:1]([H:25])[H:26])([C:6]([C:5]([C:4]([C:3]([N:2]([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])[C:9](=[O:10])[O:11][H:14].[O:12]=[O:13]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E498 - Reaction Operator E
[#7:1](-[H:11])(-[H:12])-[H].[#8:2]=[#6:3]-[#6:5](=[#8])-[#6:7].[#8:9](-[#8:10]-[H])-[H]>>[#7:1](-[#6@@:5](-[#6:3]=[#8:2])(-[#6:7])-[H])(-[H:11])-[H:12].[#8:9]=[#8:10]
EVODEX.1-C105 - Reaction Operator C
[#8]=[#6:19].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19]-[#7:23].[#8:24]=[#8:25]
EVODEX.1-N239 - Reaction Operator N
[H]-[#7:1](-[H:11])-[H:12].[#8]=[#6:5](-[#6:3])-[#6:7].[H]-[#8:9]-[#8:10]-[H]>>[H]-[#6@:5](-[#7:1](-[H:11])-[H:12])(-[#6:3])-[#6:7].[#8:9]=[#8:10]
EVODEX.1-Em361 - Reaction Operator Em
[H]-[#7:1].[#8]=[#6:5](-[#6:3]=[#8:2])-[#6:7].[H]-[#8:9]-[#8:10]-[H]>>[H]-[#6:5](-[#7:1])(-[#6:3]=[#8:2])-[#6:7].[#8:9]=[#8:10]
EVODEX.1-Cm130 - Reaction Operator Cm
[#8]=[#6:19].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19]-[#7:23].[#8:24]=[#8:25]
EVODEX.1-Nm321 - Reaction Operator Nm
[H]-[#7:1].[#8]=[#6:5](-[#6:3])-[#6:7].[H]-[#8:9]-[#8:10]-[H]>>[H]-[#6:5](-[#7:1])(-[#6:3])-[#6:7].[#8:9]=[#8:10]
Source Full Reactions
EVODEX.1-R952
[N:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24].[H][N:1]([H:25])[H:26].[H][O:12][O:13][H]>>[H][C@:7]([N:1]([H:25])[H:26])([C:6]([C:5]([C:4]([C:3]([N:2]([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])[C:9](=[O:10])[O:11][H:14].[O:12]=[O:13].[H][O:8][H]