SMIRKS
[H][C:25]([N:24]([C:22]([C@:11]([C:10]([S:9][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:12]([C:13](=[O:14])[C:15]([C:16]([C@:17]([N:18]([H:43])[H:44])([C:19](=[O:20])[O:21][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:56])=[O:23])[H:55])([C:26](=[O:27])[O:28][H:52])[H:53].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])[H:81]>>[H]O[C:25]([N:24]([C:22]([C@:11]([C:10]([S:9][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:12]([C:13](=[O:14])[C:15]([C:16]([C@:17]([N:18]([H:43])[H:44])([C:19](=[O:20])[O:21][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:56])=[O:23])[H:55])([C:26](=[O:27])[O:28][H:52])[H:53].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])([H:81])[C:37](=[O:38])[C:39]1=[O:40]
Derived Operators
EVODEX.1-M29 - Mass Difference
13.97924
EVODEX.1-E429 - Reaction Operator E
[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H]>>[#7:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30]
EVODEX.1-C222 - Reaction Operator C
([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[H]-[#8]-[#6:4]
EVODEX.1-N200 - Reaction Operator N
[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])(-[#7:5])-[H:43]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])(-[#7:5])-[H:43]
EVODEX.1-Em282 - Reaction Operator Em
[H]-[#8:24]-[#6:23]=[#6:25](-[#8:26]-[H])-[#6:16]=[#8:15].[H]-[#6:4](-[#6:2])-[#7:5]>>[#8:15]=[#6:16]-[#6:25](-[#6:23]=[#8:24])=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]
EVODEX.1-Cm200 - Reaction Operator Cm
([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[#8]-[#6:4]
EVODEX.1-Nm280 - Reaction Operator Nm
[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])-[#7:5]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]
Source Full Reactions
EVODEX.1-R559
[H][C:25]([N:24]([C:22]([C@:11]([C:10]([S:9][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:12]([C:13](=[O:14])[C:15]([C:16]([C@:17]([N:18]([H:43])[H:44])([C:19](=[O:20])[O:21][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:56])=[O:23])[H:55])([C:26](=[O:27])[O:28][H:52])[H:53].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])[H:81].[O:41]=[O:42]>>[H][O:41][C:25]([N:24]([C:22]([C@:11]([C:10]([S:9][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:12]([C:13](=[O:14])[C:15]([C:16]([C@:17]([N:18]([H:43])[H:44])([C:19](=[O:20])[O:21][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:56])=[O:23])[H:55])([C:26](=[O:27])[O:28][H:52])[H:53].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])([H:81])[C:37](=[O:38])[C:39]1=[O:40].[H][O:42][H]