SMIRKS
[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7](=[O:8])[O:9][C:10]([C:11]([H:20])([H:21])[H:22])([H:23])[H:24])([C:12]([C:13]#[N:14])([C:15]([C:16]([C:17]([H:25])([H:26])[H:27])([C:18]([H:28])([H:29])[H:30])[H:31])([H:32])[H:33])[H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40]>>[H]O[C:10]([C:11]([H:20])([H:21])[H:22])([H:23])[H:24].[H][O:9][C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])=[O:5])([C:12]([C:13]#[N:14])([C:15]([C:16]([C:17]([H:25])([H:26])[H:27])([C:18]([H:28])([H:29])[H:30])[H:31])([H:32])[H:33])[H:34])[H:35])=[O:8]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E344 - Reaction Operator E
[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21]>>[#6:2]-[#6:3](-[#8]-[H])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]
EVODEX.1-N1241 - Reaction Operator N
[#6:5]-[#6:6](-[#8:7]-[#6@:8])(-[H:48])-[H:49]>>[H]-[#8]-[#6:6](-[#6:5])(-[H:48])-[H:49].[H]-[#8:7]-[#6@:8]
EVODEX.1-Em115 - Reaction Operator Em
[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]
EVODEX.1-Nm147 - Reaction Operator Nm
[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]
Source Full Reactions
EVODEX.1-R4730
[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7](=[O:8])[O:9][C:10]([C:11]([H:20])([H:21])[H:22])([H:23])[H:24])([C:12]([C:13]#[N:14])([C:15]([C:16]([C:17]([H:25])([H:26])[H:27])([C:18]([H:28])([H:29])[H:30])[H:31])([H:32])[H:33])[H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:19][H:41]>>[C:10]([C:11]([H:20])([H:21])[H:22])([O:19][H:41])([H:23])[H:24].[H][O:9][C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])=[O:5])([C:12]([C:13]#[N:14])([C:15]([C:16]([C:17]([H:25])([H:26])[H:27])([C:18]([H:28])([H:29])[H:30])[H:31])([H:32])[H:33])[H:34])[H:35])=[O:8]