SMIRKS
[H][C@@:5]([C:4]([C:3]([S:2][C:1]([H:28])([H:29])[H:30])([H:26])[H:27])([H:24])[H:25])([N:6]([H:20])[H:21])[C:7](=[O:8])[O:9][H:22].[O:10]=[C:11]([O:12][H:31])[C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36]>>[C:1]([S:2][C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:22])=[O:16])([H:24])[H:25])([H:26])[H:27])([H:28])([H:29])[H:30].[H][C@:15]([N:6]([H:20])[H:21])([C:14]([C:13]([C:11](=[O:10])[O:12][H:31])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]
Derived Operators
EVODEX.1-C14 - Reaction Operator C
[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]
EVODEX.1-N20 - Reaction Operator N
[H]-[#6@@:14](-[#7:13](-[H:37])-[H:38])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6@:8](-[#6:7])(-[#6:10])-[#7:13](-[H:37])-[H:38].[#8:9]=[#6:14](-[#6:15])-[#6:21]
EVODEX.1-Em536 - Reaction Operator Em
[H]-[#6:6](-[#6:5])(-[#7:7])-[#6:8]=[#8:9].[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#8:20]>>[#6:5]-[#6:6](-[#6:8]=[#8:9])=[#8:18].[H]-[#6:17](-[#7:7])(-[#6:16])-[#6:19]=[#8:20]
EVODEX.1-Cm49 - Reaction Operator Cm
[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]
EVODEX.1-Nm75 - Reaction Operator Nm
[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]
Source Full Reactions
EVODEX.1-R3511
[H][C@@:5]([C:4]([C:3]([S:2][C:1]([H:28])([H:29])[H:30])([H:26])[H:27])([H:24])[H:25])([N:6]([H:20])[H:21])[C:7](=[O:8])[O:9][H:22].[O:10]=[C:11]([O:12][H:31])[C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36]>>[C:1]([S:2][C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:22])=[O:16])([H:24])[H:25])([H:26])[H:27])([H:28])([H:29])[H:30].[H][C@:15]([N:6]([H:20])[H:21])([C:14]([C:13]([C:11](=[O:10])[O:12][H:31])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]