SMIRKS
[H]O[C:33]([C@@:25]([N:24]([C:22]([C@@:21]([N:20]([C:18]([C@@:16]([N:15]([C:13]([C@@:5]([N:4]([C:2]([C:1]([H:82])([H:83])[H:84])=[O:3])[H:81])([C:6]([C:7]1:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1[H:56])([H:57])[H:58])[H:80])=[O:14])[H:79])([C:17]([H:59])([H:60])[H:61])[H:78])=[O:19])[H:77])([C@@:36]([C:37]([H:71])([H:72])[H:73])([O:38][H:74])[H:75])[H:76])=[O:23])[H:70])([C:26]([C:27]1:[C:28]([H:62]):[C:29]([H:63]):[N:30]:[C:31]([H:64]):[C:32]:1[H:65])([H:66])[H:67])[H:69])=[O:34].[H][N:39]([C:40]1:[C:41]([H:85]):[C:42]([H:86]):[C:43]([N+:44](=[O:45])[O-:46]):[C:47]([C:48](=[O:49])[O:50][H:87]):[C:51]:1[H:88])[H:89]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1[H:56])([H:57])[H:58])([C:13](=[O:14])[N:15]([C@@:16]([C:17]([H:59])([H:60])[H:61])([C:18](=[O:19])[N:20]([C@:21]([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:62]):[C:29]([H:63]):[N:30]:[C:31]([H:64]):[C:32]:1[H:65])([H:66])[H:67])([C:33](=[O:34])[N:39]([C:40]1:[C:41]([H:85]):[C:42]([H:86]):[C:43]([N+:44](=[O:45])[O-:46]):[C:47]([C:48](=[O:49])[O:50][H:87]):[C:51]:1[H:88])[H:89])[H:69])[H:70])([C@@:36]([C:37]([H:71])([H:72])[H:73])([O:38][H:74])[H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([H:82])([H:83])[H:84]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E488 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8]-[H])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267]
EVODEX.1-C1123 - Reaction Operator C
[H]-[#7:41].([H]-[#8]-[#6:29].[#6@:18])>>([#6:29]-[#7:41].[#6@@:18])
EVODEX.1-N1390 - Reaction Operator N
[H]-[#7:41](-[#6@@:42])-[H:89].([H]-[#8]-[#6:29](-[#6:28])=[#8:30].[#6:19]-[#6@:18](-[#7:17])(-[#6:32])-[H:125])>>([#7:17]-[#6@@:18](-[#6:19])(-[#6:32])-[H:125].[#6:28]-[#6:29](=[#8:30])-[#7:41](-[#6@@:42])-[H:89])
EVODEX.1-Em33 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
EVODEX.1-Nm34 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
Source Full Reactions
EVODEX.1-R5768
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1[H:56])([H:57])[H:58])([C:13](=[O:14])[N:15]([C@@:16]([C:17]([H:59])([H:60])[H:61])([C:18](=[O:19])[N:20]([C@:21]([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:62]):[C:29]([H:63]):[N:30]:[C:31]([H:64]):[C:32]:1[H:65])([H:66])[H:67])([C:33](=[O:34])[O:35][H:68])[H:69])[H:70])([C@@:36]([C:37]([H:71])([H:72])[H:73])([O:38][H:74])[H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([H:82])([H:83])[H:84].[H][N:39]([C:40]1:[C:41]([H:85]):[C:42]([H:86]):[C:43]([N+:44](=[O:45])[O-:46]):[C:47]([C:48](=[O:49])[O:50][H:87]):[C:51]:1[H:88])[H:89]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:52]):[C:9]([H:53]):[C:10]([H:54]):[C:11]([H:55]):[C:12]:1[H:56])([H:57])[H:58])([C:13](=[O:14])[N:15]([C@@:16]([C:17]([H:59])([H:60])[H:61])([C:18](=[O:19])[N:20]([C@:21]([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:62]):[C:29]([H:63]):[N:30]:[C:31]([H:64]):[C:32]:1[H:65])([H:66])[H:67])([C:33](=[O:34])[N:39]([C:40]1:[C:41]([H:85]):[C:42]([H:86]):[C:43]([N+:44](=[O:45])[O-:46]):[C:47]([C:48](=[O:49])[O:50][H:87]):[C:51]:1[H:88])[H:89])[H:69])[H:70])([C@@:36]([C:37]([H:71])([H:72])[H:73])([O:38][H:74])[H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([H:82])([H:83])[H:84].[H][O:35][H:68]