SMIRKS
[H][N:2]([C:1]([H:48])([H:49])[H:50])[C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:9]([H:71])([H:72])[H:73]>>[C:1]([N:2]([C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46])[C:9]([H:71])([H:72])[H:73])([H:48])([H:49])[H:50]
Derived Operators
EVODEX.1-F289 - Elemental Balance
| O | -5 |
| C | -14 |
| S | -1 |
| N | -6 |
| H | -21 |
EVODEX.1-M38 - Mass Difference
-385.12963
EVODEX.1-E1053 - Reaction Operator E
[#6:18]-[#7:19](-[H])-[#6@@:20].[#6:29](-[#16](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(-[H:104])(-[H:105])-[H:106]>>[#6:18]-[#7:19](-[#6:29](-[H:104])(-[H:105])-[H:106])-[#6@@:20]
EVODEX.1-C156 - Reaction Operator C
[H]-[#7:2].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:9]>>[#7:2]-[#6:9]
EVODEX.1-N1083 - Reaction Operator N
[H]-[#7:2](-[#6:1])-[#6:3].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:9](-[H:71])(-[H:72])-[H:73]>>[#6:1]-[#7:2](-[#6:3])-[#6:9](-[H:71])(-[H:72])-[H:73]
EVODEX.1-Em394 - Reaction Operator Em
[H]-[#7:19](-[#6:18])-[#6:20].[#6]-[#16](-[#6])-[#6:29]>>[#6:18]-[#7:19](-[#6:29])-[#6:20]
EVODEX.1-Nm354 - Reaction Operator Nm
[H]-[#7:19](-[#6:18])-[#6:20].[#6]-[#16](-[#6])-[#6:29]>>[#6:18]-[#7:19](-[#6:29])-[#6:20]
Source Full Reactions
EVODEX.1-R1653
[H][N:2]([C:1]([H:48])([H:49])[H:50])[C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46].[C:9]([S+:10]([C:11]([C:12]([C@:13]([N:14]([H:51])[H:52])([C:15](=[O:16])[O:17][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[C:18]([C@@:19]1([H:59])[O:20][C@:21]([N:22]2:[C:23]([H:60]):[N:24]:[C:25]3:[C:26]([N:27]([H:61])[H:62]):[N:28]:[C:29]([H:63]):[N:30]:[C:31]:2:3)([H:64])[C@@:32]([O:33][H:65])([H:66])[C@@:34]1([O:35][H:67])[H:68])([H:69])[H:70])([H:71])([H:72])[H:73]>>[C:1]([N:2]([C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46])[C:9]([H:71])([H:72])[H:73])([H:48])([H:49])[H:50].[HH].[S:10]([C:11]([C:12]([C@:13]([N:14]([H:51])[H:52])([C:15](=[O:16])[O:17][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[C:18]([C@@:19]1([H:59])[O:20][C@:21]([N:22]2:[C:23]([H:60]):[N:24]:[C:25]3:[C:26]([N:27]([H:61])[H:62]):[N:28]:[C:29]([H:63]):[N:30]:[C:31]:2:3)([H:64])[C@@:32]([O:33][H:65])([H:66])[C@@:34]1([O:35][H:67])[H:68])([H:69])[H:70]