SMIRKS
[C:19]([S+:20]([C:21]([C:22]([C@:23]([N:24]([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:28]([C@@:29]1([H:54])[O:30][C@:31]([N:32]2:[C:33]([H:55]):[N:34]:[C:35]3:[C:36]([N:37]([H:56])[H:57]):[N:38]:[C:39]([H:58]):[N:40]:[C:41]:2:3)([H:59])[C@@:42]([O:43][H:60])([H:61])[C@@:44]1([O:45][H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][N:2]([C:1]([H:81])([H:82])[H:83])[C:3]([C:4]([C:5]1:[C:6]([H:69]):[N:7]([H:70]):[C:8]2:[C:9]([H:71]):[C:10]([H:72]):[C:11]([H:73]):[C:12]([O:13][P:14](=[O:15])([O:16][H:74])[O:17][H:75]):[C:18]:1:2)([H:76])[H:77])([H:78])[H:79]>>[C:1]([N:2]([C:3]([C:4]([C:5]1:[C:6]([H:69]):[N:7]([H:70]):[C:8]2:[C:9]([H:71]):[C:10]([H:72]):[C:11]([H:73]):[C:12]([O:13][P:14](=[O:15])([O:16][H:74])[O:17][H:75]):[C:18]:1:2)([H:76])[H:77])([H:78])[H:79])[C:19]([H:66])([H:67])[H:68])([H:81])([H:82])[H:83].[S:20]([C:21]([C:22]([C@:23]([N:24]([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:28]([C@@:29]1([H:54])[O:30][C@:31]([N:32]2:[C:33]([H:55]):[N:34]:[C:35]3:[C:36]([N:37]([H:56])[H:57]):[N:38]:[C:39]([H:58]):[N:40]:[C:41]:2:3)([H:59])[C@@:42]([O:43][H:60])([H:61])[C@@:44]1([O:45][H:62])[H:63])([H:64])[H:65]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E37 - Reaction Operator E
[#6:18]-[#7:19](-[H])-[#6@@:20].[#6:29](-[#16:30](-[#6:31])-[#6:38])(-[H:104])(-[H:105])-[H:106]>>[#6:18]-[#7:19](-[#6:29](-[H:104])(-[H:105])-[H:106])-[#6@@:20].[#16:30](-[#6:31])-[#6:38]
EVODEX.1-N272 - Reaction Operator N
[H]-[#7:2](-[#6:1])-[#6:3].[#6:8](-[#16:9](-[#6:10])-[#6:17])(-[H:69])(-[H:70])-[H:71]>>[#6:1]-[#7:2](-[#6:3])-[#6:8](-[H:69])(-[H:70])-[H:71].[#16:9](-[#6:10])-[#6:17]
EVODEX.1-Em397 - Reaction Operator Em
[H]-[#7:2](-[#6:1])-[#6:3].[#6:8]-[#16:9](-[#6:10])-[#6:17]>>[#6:1]-[#7:2](-[#6:3])-[#6:8].[#16:9](-[#6:10])-[#6:17]
EVODEX.1-Nm357 - Reaction Operator Nm
[H]-[#7:2](-[#6:1])-[#6:3].[#6:8]-[#16:9](-[#6:10])-[#6:17]>>[#6:1]-[#7:2](-[#6:3])-[#6:8].[#16:9](-[#6:10])-[#6:17]
Source Full Reactions
EVODEX.1-R1602
[C:19]([S+:20]([C:21]([C:22]([C@:23]([N:24]([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:28]([C@@:29]1([H:54])[O:30][C@:31]([N:32]2:[C:33]([H:55]):[N:34]:[C:35]3:[C:36]([N:37]([H:56])[H:57]):[N:38]:[C:39]([H:58]):[N:40]:[C:41]:2:3)([H:59])[C@@:42]([O:43][H:60])([H:61])[C@@:44]1([O:45][H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[H][N:2]([C:1]([H:81])([H:82])[H:83])[C:3]([C:4]([C:5]1:[C:6]([H:69]):[N:7]([H:70]):[C:8]2:[C:9]([H:71]):[C:10]([H:72]):[C:11]([H:73]):[C:12]([O:13][P:14](=[O:15])([O:16][H:74])[O:17][H:75]):[C:18]:1:2)([H:76])[H:77])([H:78])[H:79]>>[C:1]([N:2]([C:3]([C:4]([C:5]1:[C:6]([H:69]):[N:7]([H:70]):[C:8]2:[C:9]([H:71]):[C:10]([H:72]):[C:11]([H:73]):[C:12]([O:13][P:14](=[O:15])([O:16][H:74])[O:17][H:75]):[C:18]:1:2)([H:76])[H:77])([H:78])[H:79])[C:19]([H:66])([H:67])[H:68])([H:81])([H:82])[H:83].[HH].[S:20]([C:21]([C:22]([C@:23]([N:24]([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:28]([C@@:29]1([H:54])[O:30][C@:31]([N:32]2:[C:33]([H:55]):[N:34]:[C:35]3:[C:36]([N:37]([H:56])[H:57]):[N:38]:[C:39]([H:58]):[N:40]:[C:41]:2:3)([H:59])[C@@:42]([O:43][H:60])([H:61])[C@@:44]1([O:45][H:62])[H:63])([H:64])[H:65]