SMIRKS
[O:1]=[C:2]1:[C:3]([O:4][H:59]):[C:5]([C:6]2:[C:7]([H:60]):[C:8]([H:61]):[C:9]([O:10][H:62]):[C:11]([O:12][H:63]):[C:13]:2[H:64]):[O:14]:[C:15]2:[C:16]([H:65]):[C:17]([O:18][C@:19]3([H:66])[O:20][C@@:21]([C:22]([O:23][H:67])([H:68])[H:69])([H:70])[C@:24]([O:25][H:71])([H:72])[C@@:26]([O:27][H:73])([H:74])[C@:28]3([O:29][H:75])[H:76]):[C:30]([H:77]):[C:31]([O:32][H:78]):[C:33]:1:2>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:19]1([H:66])[O:20][C@@:21]([C:22]([O:23][H:67])([H:68])[H:69])([H:70])[C@:24]([O:25][H:71])([H:72])[C@@:26]([O:27][H:73])([H:74])[C@:28]1([O:29][H:75])[H:76].[H][O:18][C:17]1:[C:16]([H:65]):[C:15]2:[O:14]:[C:5]([C:6]3:[C:7]([H:60]):[C:8]([H:61]):[C:9]([O:10][H:62]):[C:11]([O:12][H:63]):[C:13]:3[H:64]):[C:3]([O:4][H:59]):[C:2](=[O:1]):[C:33]:2:[C:31]([O:32][H:78]):[C:30]:1[H:77]
Derived Operators
EVODEX.1-F397 - Elemental Balance
| P | 2 |
| O | 12 |
| C | 9 |
| N | 2 |
| H | 14 |
EVODEX.1-M393 - Mass Difference
404.00222
EVODEX.1-E1202 - Reaction Operator E
[#8:35](-[#6@:34])-[#6:36](-[H:94])(-[#8:37])-[#6@:45]>>[#8](-[#6@@:36](-[H:94])(-[#8:37])-[#6@:45])-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H].[#8:35](-[#6@:34])-[H]
EVODEX.1-C869 - Reaction Operator C
[#8:18]-[#6@:19]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:18]
EVODEX.1-N1091 - Reaction Operator N
[#6:17]-[#8:18]-[#6@:19](-[H:66])(-[#8:20])-[#6@:28]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:66])(-[#8:20])-[#6@:28].[H]-[#8:18]-[#6:17]
EVODEX.1-Em61 - Reaction Operator Em
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
EVODEX.1-Nm73 - Reaction Operator Nm
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
Source Full Reactions
EVODEX.1-R3168
[O:1]=[C:2]1:[C:3]([O:4][H:59]):[C:5]([C:6]2:[C:7]([H:60]):[C:8]([H:61]):[C:9]([O:10][H:62]):[C:11]([O:12][H:63]):[C:13]:2[H:64]):[O:14]:[C:15]2:[C:16]([H:65]):[C:17]([O:18][C@:19]3([H:66])[O:20][C@@:21]([C:22]([O:23][H:67])([H:68])[H:69])([H:70])[C@:24]([O:25][H:71])([H:72])[C@@:26]([O:27][H:73])([H:74])[C@:28]3([O:29][H:75])[H:76]):[C:30]([H:77]):[C:31]([O:32][H:78]):[C:33]:1:2.[H][O:50][P:48]([O:47][P:44]([O:43][C:42]([C@@:41]1([H:87])[O:40][C@:39]([N:38]2:[C:37]([H:80]):[C:36]([H:79]):[C:35](=[O:34]):[N:58]([H:92]):[C:56]:2=[O:57])([H:81])[C@@:54]([O:55][H:90])([H:91])[C@@:52]1([O:53][H:88])[H:89])([H:85])[H:86])(=[O:45])[O:46][H:82])(=[O:49])[O:51][H:84]>>[C@:19]1([O:50][P:48]([O:47][P:44]([O:43][C:42]([C@@:41]2([H:87])[O:40][C@:39]([N:38]3:[C:37]([H:80]):[C:36]([H:79]):[C:35](=[O:34]):[N:58]([H:92]):[C:56]:3=[O:57])([H:81])[C@@:54]([O:55][H:90])([H:91])[C@@:52]2([O:53][H:88])[H:89])([H:85])[H:86])(=[O:45])[O:46][H:82])(=[O:49])[O:51][H:84])([H:66])[O:20][C@@:21]([C:22]([O:23][H:67])([H:68])[H:69])([H:70])[C@:24]([O:25][H:71])([H:72])[C@@:26]([O:27][H:73])([H:74])[C@:28]1([O:29][H:75])[H:76].[H][O:18][C:17]1:[C:16]([H:65]):[C:15]2:[O:14]:[C:5]([C:6]3:[C:7]([H:60]):[C:8]([H:61]):[C:9]([O:10][H:62]):[C:11]([O:12][H:63]):[C:13]:3[H:64]):[C:3]([O:4][H:59]):[C:2](=[O:1]):[C:33]:2:[C:31]([O:32][H:78]):[C:30]:1[H:77]