SMIRKS
[H][O:27][C@:26]1([H:73])[C@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][P:22](=[O:23])([O:24][H:67])[O:25][H:68])([H:69])[H:70])([H:71])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:77])[H:78]):[N:32]([H:76]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:63])([H:64])[C@@:28]1([O:29][H:74])[H:75].[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:54](=[O:55])([O:56][H:87])[O:57][P:58](=[O:59])([O:60][H:88])[O:61][H:89]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:63]):[N:8]:2[C@:9]2([H:64])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][P:22](=[O:23])([O:24][H:67])[O:25][H:68])([H:69])[H:70])([H:71])[C@:26]([O:27][P:54](=[O:55])([O:56][H:87])[O:57][P:58](=[O:59])([O:60][H:88])[O:61][H:89])([H:73])[C@:28]2([O:29][H:74])[H:75]):[C:30](=[O:31]):[N:32]:1[H:76])([H:77])[H:78]
Derived Operators
EVODEX.1-F163 - Elemental Balance
| P | -1 |
| O | -6 |
| C | -10 |
| N | -5 |
| H | -14 |
EVODEX.1-M259 - Mass Difference
-331.06832
EVODEX.1-E830 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:50](=[#8:51])(-[#8:52])-[#8:53])(-[H])-[H])(-[H])-[#8]-1)(-[H])-[H].[#8:24](-[#6@:23])-[H]>>[#8:24](-[#6@:23])-[#15:50](=[#8:51])(-[#8:52])-[#8:53]
EVODEX.1-C1103 - Reaction Operator C
([H]-[#8:27].[#6@:11].[#6@@:28]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:54]>>([#8:27]-[#15:54].[#6@@:11].[#6@:28])
EVODEX.1-N1355 - Reaction Operator N
[H]-[#8:27]-[#6@@:26]1-[#6@:11](-[#6:12])(-[H:71])-[#8:10]-[#6@:9]-[#6@@:28]-1(-[#8:29])-[H:75].[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:54](=[#8:55])(-[#8:56])-[#8:57]>>[#8:10]1-[#6@:9]-[#6@@:28](-[#6@:26](-[#6@:11]-1(-[#6:12])-[H:71])-[#8:27]-[#15:54](=[#8:55])(-[#8:56])-[#8:57])(-[#8:29])-[H:75]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R4349
[H][O:27][C@:26]1([H:73])[C@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][P:22](=[O:23])([O:24][H:67])[O:25][H:68])([H:69])[H:70])([H:71])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:77])[H:78]):[N:32]([H:76]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:63])([H:64])[C@@:28]1([O:29][H:74])[H:75].[N:33]([C:34]1:[N:35]:[C:36]([H:79]):[N:37]:[C:38]2:[C:39]:1:[N:40]:[C:41]([H:80]):[N:42]:2[C@@:43]1([H:81])[C:44]([H:82])([H:83])[C@@:45]([O:46][H:84])([H:85])[C@:47]([C:48]([O:49][P:50](=[O:51])([O:52][H:86])[O:53][P:54](=[O:55])([O:56][H:87])[O:57][P:58](=[O:59])([O:60][H:88])[O:61][H:89])([H:90])[H:91])([H:92])[O:62]1)([H:93])[H:94]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:63]):[N:8]:2[C@:9]2([H:64])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][P:22](=[O:23])([O:24][H:67])[O:25][H:68])([H:69])[H:70])([H:71])[C@:26]([O:27][P:54](=[O:55])([O:56][H:87])[O:57][P:58](=[O:59])([O:60][H:88])[O:61][H:89])([H:73])[C@:28]2([O:29][H:74])[H:75]):[C:30](=[O:31]):[N:32]:1[H:76])([H:77])[H:78].[H][O:53][P:50]([O:49][C:48]([C@:47]1([H:92])[C@:45]([O:46][H:84])([H:85])[C:44]([H:82])([H:83])[C@@:43]([N:42]2:[C:38]3:[N:37]:[C:36]([H:79]):[N:35]:[C:34]([N:33]([H:93])[H:94]):[C:39]:3:[N:40]:[C:41]:2[H:80])([H:81])[O:62]1)([H:90])[H:91])(=[O:51])[O:52][H:86]