SMIRKS
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:39])[H:40])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:41])([H:42])[H:43])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]([C:20]([C:21]([N:22]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([C:23](=[O:24])[N:25]([C@@:26]([C:27]([C:28]1:[C:29]([H:54]):[C:30]([H:55]):[C:31]([O:32][H:56]):[C:33]([H:57]):[C:34]:1[H:58])([H:59])[H:60])([C:35](=[O:36])[O:37][H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])([H:74])[H:75]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:41])([H:42])[H:43])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]([C:20]([C:21]([N:22]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([C:23](=[O:24])[N:25]([C@@:26]([C:27]([C:28]1:[C:29]([H:54]):[C:30]([H:55]):[C:31]([O:32][H:56]):[C:33]([H:57]):[C:34]:1[H:58])([H:59])[H:60])([C:35](=[O:36])[O:37][H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:40].[H]O[C:7](=[O:8])[H:39]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E347 - Reaction Operator E
[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8]-[H])-[H:9]
EVODEX.1-N86 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[H:32])-[H:33])(-[#6:9])-[H:55]>>[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:9])-[H:55])-[H:33].[H]-[#8]-[#6:7](=[#8:8])-[H:32]
EVODEX.1-Em129 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
EVODEX.1-Nm163 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
Source Full Reactions
EVODEX.1-R6485
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:39])[H:40])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:41])([H:42])[H:43])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]([C:20]([C:21]([N:22]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([C:23](=[O:24])[N:25]([C@@:26]([C:27]([C:28]1:[C:29]([H:54]):[C:30]([H:55]):[C:31]([O:32][H:56]):[C:33]([H:57]):[C:34]:1[H:58])([H:59])[H:60])([C:35](=[O:36])[O:37][H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])([H:74])[H:75].[H][O:38][H:76]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:41])([H:42])[H:43])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]([C:20]([C:21]([N:22]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([C:23](=[O:24])[N:25]([C@@:26]([C:27]([C:28]1:[C:29]([H:54]):[C:30]([H:55]):[C:31]([O:32][H:56]):[C:33]([H:57]):[C:34]:1[H:58])([H:59])[H:60])([C:35](=[O:36])[O:37][H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:40].[C:7](=[O:8])([O:38][H:76])[H:39]