SMIRKS
[H][O:10][C:9]1:[C:8]([H:64]):[C:7]([H:63]):[C:6]2:[C:12](:[C:11]:1[H:66])[C:13]([H:67])([H:68])[C:14]([H:69])([H:70])[C@:15]1([H:71])[C@:5]2([H:62])[C:4]([H:60])([H:61])[C:3]([H:58])([H:59])[C@@:2]2([C:1]([H:79])([H:80])[H:81])[C@@:16]1([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@@:19]2([O:20][H:77])[H:78].[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@@:26]1([H:97])[O:25][C@@:24]([C:22](=[O:21])[O:23][H:82])([H:83])[C@:56]([O:57][H:102])([H:103])[C@@:54]([O:55][H:100])([H:101])[C@:52]1([O:53][H:98])[H:99]>>[C:1]([C@:2]12[C:3]([H:58])([H:59])[C:4]([H:60])([H:61])[C@:5]3([H:62])[C:6]4:[C:7]([H:63]):[C:8]([H:64]):[C:9]([O:10][C@:26]5([H:97])[O:25][C@@:24]([C:22](=[O:21])[O:23][H:82])([H:83])[C@:56]([O:57][H:102])([H:103])[C@@:54]([O:55][H:100])([H:101])[C@:52]5([O:53][H:98])[H:99]):[C:11]([H:66]):[C:12]:4[C:13]([H:67])([H:68])[C:14]([H:69])([H:70])[C@@:15]3([H:71])[C@:16]1([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@@:19]2([O:20][H:77])[H:78])([H:79])([H:80])[H:81]
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-C1250 - Reaction Operator C
([H]-[#8:10].[#6@:15]-[#6@@:16]-[#6@@:2]).[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@@:26]>>([#8:10]-[#6@:26].[#6@:2]-[#6@:16]-[#6@@:15])
EVODEX.1-N1552 - Reaction Operator N
([H]-[#8:10]-[#6:9].[#6:14]-[#6@:15](-[H:71])(-[#6@:5])-[#6@:16](-[#6@@:2](-[#6:3])(-[#6:1])-[#6@@:19])(-[H:72])-[#6:17]).[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@@:26](-[H:97])(-[#8:25])-[#6@:52]>>([#6:1]-[#6@:2](-[#6:3])(-[#6@@:16](-[#6@@:15](-[#6@:5])(-[#6:14])-[H:71])(-[H:72])-[#6:17])-[#6@@:19].[#6:9]-[#8:10]-[#6@:26](-[H:97])(-[#8:25])-[#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-R3026
[H][O:10][C:9]1:[C:8]([H:64]):[C:7]([H:63]):[C:6]2:[C:12](:[C:11]:1[H:66])[C:13]([H:67])([H:68])[C:14]([H:69])([H:70])[C@:15]1([H:71])[C@:5]2([H:62])[C:4]([H:60])([H:61])[C:3]([H:58])([H:59])[C@@:2]2([C:1]([H:79])([H:80])[H:81])[C@@:16]1([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@@:19]2([O:20][H:77])[H:78].[O:21]=[C:22]([O:23][H:82])[C@@:24]1([H:83])[O:25][C@@:26]([O:27][P:28](=[O:29])([O:30][H:84])[O:31][P:32](=[O:33])([O:34][H:85])[O:35][C:36]([C@@:37]2([H:86])[O:38][C@:39]([N:40]3:[C:41]([H:87]):[C:42]([H:88]):[C:43](=[O:44]):[N:45]([H:89]):[C:46]:3=[O:47])([H:90])[C@@:48]([O:49][H:91])([H:92])[C@@:50]2([O:51][H:93])[H:94])([H:95])[H:96])([H:97])[C@@:52]([O:53][H:98])([H:99])[C@:54]([O:55][H:100])([H:101])[C@@:56]1([O:57][H:102])[H:103]>>[C:1]([C@:2]12[C:3]([H:58])([H:59])[C:4]([H:60])([H:61])[C@:5]3([H:62])[C:6]4:[C:7]([H:63]):[C:8]([H:64]):[C:9]([O:10][C@:26]5([H:97])[O:25][C@@:24]([C:22](=[O:21])[O:23][H:82])([H:83])[C@:56]([O:57][H:102])([H:103])[C@@:54]([O:55][H:100])([H:101])[C@:52]5([O:53][H:98])[H:99]):[C:11]([H:66]):[C:12]:4[C:13]([H:67])([H:68])[C:14]([H:69])([H:70])[C@@:15]3([H:71])[C@:16]1([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@@:19]2([O:20][H:77])[H:78])([H:79])([H:80])[H:81].[H][O:27][P:28](=[O:29])([O:30][H:84])[O:31][P:32](=[O:33])([O:34][H:85])[O:35][C:36]([C@@:37]1([H:86])[O:38][C@:39]([N:40]2:[C:41]([H:87]):[C:42]([H:88]):[C:43](=[O:44]):[N:45]([H:89]):[C:46]:2=[O:47])([H:90])[C@@:48]([O:49][H:91])([H:92])[C@@:50]1([O:51][H:93])[H:94])([H:95])[H:96]