SMIRKS
[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:22]:2:[C:20]([O:21][H:68]):[C:19]:1[H:67].[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@@:41]1([H:74])[O:42][C@@:43]([C:44]([O:45][H:75])([H:76])[H:77])([H:78])[C@:46]([O:47][H:79])([H:80])[C@@:48]([O:49][H:81])([H:82])[C@:50]1([O:51][H:83])[H:84]>>[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@:41]3([H:74])[O:42][C@@:43]([C:44]([O:45][H:75])([H:76])[H:77])([H:78])[C@:46]([O:47][H:79])([H:80])[C@@:48]([O:49][H:81])([H:82])[C@:50]3([O:51][H:83])[H:84]):[C:19]([H:67]):[C:20]([O:21][H:68]):[C:22]:1:2
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1110 - Reaction Operator E
[#6:10]-[#8:11]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:42](-[H:75])(-[#8:43])-[#6@:49])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:10]-[#8:11]-[#6@:42](-[H:75])(-[#8:43])-[#6@:49]
EVODEX.1-C64 - Reaction Operator C
[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]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N23 - Reaction Operator N
[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:61])(-[#8:20])-[#6@:26].[H]-[#8:53]-[#6@:52]>>[#8:53](-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26])-[#6@:52]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R2974
[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:22]:2:[C:20]([O:21][H:68]):[C:19]:1[H:67].[O:23]=[C:24]1:[C:25]([H:69]):[C:26]([H:70]):[N:27]([C@:28]2([H:71])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:72])[O:36][P:37](=[O:38])([O:39][H:73])[O:40][C@@:41]3([H:74])[O:42][C@@:43]([C:44]([O:45][H:75])([H:76])[H:77])([H:78])[C@:46]([O:47][H:79])([H:80])[C@@:48]([O:49][H:81])([H:82])[C@:50]3([O:51][H:83])[H:84])([H:85])[H:86])([H:87])[C@:52]([O:53][H:88])([H:89])[C@:54]2([O:55][H:90])[H:91]):[C:56](=[O:57]):[N:58]:1[H:92]>>[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@:41]3([H:74])[O:42][C@@:43]([C:44]([O:45][H:75])([H:76])[H:77])([H:78])[C@:46]([O:47][H:79])([H:80])[C@@:48]([O:49][H:81])([H:82])[C@:50]3([O:51][H:83])[H:84]):[C:19]([H:67]):[C:20]([O:21][H:68]):[C:22]:1:2.[H][O:40][P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:87])[O:29][C@:28]([N:27]2:[C:26]([H:70]):[C:25]([H:69]):[C:24](=[O:23]):[N:58]([H:92]):[C:56]:2=[O:57])([H:71])[C@@:54]([O:55][H:90])([H:91])[C@@:52]1([O:53][H:88])[H:89])([H:85])[H:86])(=[O:34])[O:35][H:72])(=[O:38])[O:39][H:73]