SMIRKS
[C:15]([S+:16]([C:17]([C:18]([C@:19]([N:20]([H:42])[H:43])([C:21](=[O:22])[O:23][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:24]([C@@:25]1([H:50])[O:26][C@:27]([N:28]2:[C:29]([H:51]):[N:30]:[C:31]3:[C:32]([N:33]([H:52])[H:53]):[N:34]:[C:35]([H:54]):[N:36]:[C:37]:2:3)([H:55])[C@@:38]([O:39][H:56])([H:57])[C@@:40]1([O:41][H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][O:7][C:6]1:[C:5]([H:68]):[C:4]2:[C:11](:[C:9]([O:10][H:71]):[C:8]:1[H:70])[C:12](=[O:13])[O:14][C@@:2]([C:1]([H:72])([H:73])[H:74])([H:65])[C:3]2([H:66])[H:67]>>[C:1]([C@:2]1([H:65])[C:3]([H:66])([H:67])[C:4]2:[C:5]([H:68]):[C:6]([O:7][C:15]([H:62])([H:63])[H:64]):[C:8]([H:70]):[C:9]([O:10][H:71]):[C:11]:2[C:12](=[O:13])[O:14]1)([H:72])([H:73])[H:74].[S:16]([C:17]([C:18]([C@:19]([N:20]([H:42])[H:43])([C:21](=[O:22])[O:23][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:24]([C@@:25]1([H:50])[O:26][C@:27]([N:28]2:[C:29]([H:51]):[N:30]:[C:31]3:[C:32]([N:33]([H:52])[H:53]):[N:34]:[C:35]([H:54]):[N:36]:[C:37]:2:3)([H:55])[C@@:38]([O:39][H:56])([H:57])[C@@:40]1([O:41][H:58])[H:59])([H:60])[H:61]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E34 - Reaction Operator E
[#6:21]-[#8:22]-[H].[#6:27](-[#16:28](-[#6:29])-[#6:36])(-[H:98])(-[H:99])-[H:100]>>[#6:21]-[#8:22]-[#6:27](-[H:98])(-[H:99])-[H:100].[#16:28](-[#6:29])-[#6:36]
EVODEX.1-C1217 - Reaction Operator C
[#6:15]-[#16:16].([H]-[#8:7].[#6@@:2])>>([#8:7]-[#6:15].[#6@:2]).[#16:16]
EVODEX.1-N1508 - Reaction Operator N
[#6:15](-[#16:16](-[#6:17])-[#6:24])(-[H:62])(-[H:63])-[H:64].([H]-[#8:7]-[#6:6].[#8:14]-[#6@@:2](-[#6:1])(-[H:65])-[#6:3])>>([#6:1]-[#6@:2](-[H:65])(-[#6:3])-[#8:14].[#6:6]-[#8:7]-[#6:15](-[H:62])(-[H:63])-[H:64]).[#16:16](-[#6:17])-[#6:24]
EVODEX.1-Em393 - Reaction Operator Em
[H]-[#8:19]-[#6:18].[#6:25]-[#16:26](-[#6:27])-[#6:34]>>[#6:18]-[#8:19]-[#6:25].[#16:26](-[#6:27])-[#6:34]
EVODEX.1-Nm353 - Reaction Operator Nm
[H]-[#8:19]-[#6:18].[#6:25]-[#16:26](-[#6:27])-[#6:34]>>[#6:18]-[#8:19]-[#6:25].[#16:26](-[#6:27])-[#6:34]
Source Full Reactions
EVODEX.1-R1230
[C:15]([S+:16]([C:17]([C:18]([C@:19]([N:20]([H:42])[H:43])([C:21](=[O:22])[O:23][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:24]([C@@:25]1([H:50])[O:26][C@:27]([N:28]2:[C:29]([H:51]):[N:30]:[C:31]3:[C:32]([N:33]([H:52])[H:53]):[N:34]:[C:35]([H:54]):[N:36]:[C:37]:2:3)([H:55])[C@@:38]([O:39][H:56])([H:57])[C@@:40]1([O:41][H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][O:7][C:6]1:[C:5]([H:68]):[C:4]2:[C:11](:[C:9]([O:10][H:71]):[C:8]:1[H:70])[C:12](=[O:13])[O:14][C@@:2]([C:1]([H:72])([H:73])[H:74])([H:65])[C:3]2([H:66])[H:67]>>[C:1]([C@:2]1([H:65])[C:3]([H:66])([H:67])[C:4]2:[C:5]([H:68]):[C:6]([O:7][C:15]([H:62])([H:63])[H:64]):[C:8]([H:70]):[C:9]([O:10][H:71]):[C:11]:2[C:12](=[O:13])[O:14]1)([H:72])([H:73])[H:74].[HH].[S:16]([C:17]([C:18]([C@:19]([N:20]([H:42])[H:43])([C:21](=[O:22])[O:23][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:24]([C@@:25]1([H:50])[O:26][C@:27]([N:28]2:[C:29]([H:51]):[N:30]:[C:31]3:[C:32]([N:33]([H:52])[H:53]):[N:34]:[C:35]([H:54]):[N:36]:[C:37]:2:3)([H:55])[C@@:38]([O:39][H:56])([H:57])[C@@:40]1([O:41][H:58])[H:59])([H:60])[H:61]