SMIRKS
[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@:6]1([H:77])[C@@:5]([N:4]([C:2]([C:1]([H:87])([H:88])[H:89])=[O:3])[H:86])([H:63])[C@:38]([O:39][H:84])([H:85])[C@@:36]([O:37][H:82])([H:83])[C@:33]([C:34]([O:35][H:78])([H:79])[H:80])([H:81])[O:32]1.[H][O:62][C@@:61]1([H:108])[C@:42]([C:41]([O:40][H:111])([H:109])[H:110])([H:90])[O:43][C@:44]([O:45][C@@:46]2([H:91])[C@@:47]([O:48][H:92])([H:93])[C@:49]([O:50][H:94])([H:95])[C@@:51]([O:52][H:96])([H:97])[O:53][C@@:54]2([C:55]([O:56][H:98])([H:99])[H:100])[H:101])([H:102])[C@@:57]([O:58][H:103])([H:104])[C@:59]1([O:60][H:105])[H:106]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:63])[C@:6]([O:62][C@@:61]2([H:108])[C@:42]([C:41]([O:40][H:111])([H:109])[H:110])([H:90])[O:43][C@:44]([O:45][C@@:46]3([H:91])[C@@:47]([O:48][H:92])([H:93])[C@:49]([O:50][H:94])([H:95])[C@@:51]([O:52][H:96])([H:97])[O:53][C@@:54]3([C:55]([O:56][H:98])([H:99])[H:100])[H:101])([H:102])[C@@:57]([O:58][H:103])([H:104])[C@:59]2([O:60][H:105])[H:106])([H:77])[O:32][C@@:33]([C:34]([O:35][H:78])([H:79])[H:80])([H:81])[C@:36]([O:37][H:82])([H:83])[C@@:38]1([O:39][H:84])[H:85])[H:86])([H:87])([H:88])[H:89]
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-E1115 - Reaction Operator E
[#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@@:19](-[H:72])(-[#8:20])-[#6@:26])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H].[#6:36]-[#6@@:37](-[H:89])(-[#8:38])-[#6@:65](-[#6@:63])(-[#8:66]-[H])-[H:106]>>[#8:66](-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26])-[#6@:65](-[H:106])(-[#6@:37](-[#6:36])(-[H:89])-[#8:38])-[#6@:63]
EVODEX.1-C377 - 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@:6].[#6@:38]-[#6@@:36]-[#6@:33]).[H]-[#8:42]>>([#8:42]-[#6@:6].[#6@@:33]-[#6@:36]-[#6@@:38])
EVODEX.1-N1207 - 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@:6]1(-[H:77])-[#6@@:5]-[#6@:38](-[#8:39])(-[H:85])-[#6@@:36](-[#8:37])(-[H:83])-[#6@:33](-[#6:34])(-[H:81])-[#8:32]-1.[H]-[#8:62]-[#6@@:61]>>[#8:62](-[#6@@:6]1(-[#6@@:5]-[#6@:38](-[#6@@:36](-[#6@:33](-[#8:32]-1)(-[#6:34])-[H:81])(-[#8:37])-[H:83])(-[#8:39])-[H:85])-[H:77])-[#6@@:61]
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-R3208
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:63])[C@:6]([O:7][P:8](=[O:9])([O:10][H:64])[O:11][P:12](=[O:13])([O:14][H:65])[O:15][C:16]([C@@:17]2([H:66])[O:18][C@:19]([N:20]3:[C:21]([H:67]):[C:22]([H:68]):[C:23](=[O:24]):[N:25]([H:69]):[C:26]:3=[O:27])([H:70])[C@@:28]([O:29][H:71])([H:72])[C@@:30]2([O:31][H:73])[H:74])([H:75])[H:76])([H:77])[O:32][C@@:33]([C:34]([O:35][H:78])([H:79])[H:80])([H:81])[C@:36]([O:37][H:82])([H:83])[C@@:38]1([O:39][H:84])[H:85])[H:86])([H:87])([H:88])[H:89].[H][O:62][C@@:61]1([H:108])[C@:42]([C:41]([O:40][H:111])([H:109])[H:110])([H:90])[O:43][C@:44]([O:45][C@@:46]2([H:91])[C@@:47]([O:48][H:92])([H:93])[C@:49]([O:50][H:94])([H:95])[C@@:51]([O:52][H:96])([H:97])[O:53][C@@:54]2([C:55]([O:56][H:98])([H:99])[H:100])[H:101])([H:102])[C@@:57]([O:58][H:103])([H:104])[C@:59]1([O:60][H:105])[H:106]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:63])[C@:6]([O:62][C@@:61]2([H:108])[C@:42]([C:41]([O:40][H:111])([H:109])[H:110])([H:90])[O:43][C@:44]([O:45][C@@:46]3([H:91])[C@@:47]([O:48][H:92])([H:93])[C@:49]([O:50][H:94])([H:95])[C@@:51]([O:52][H:96])([H:97])[O:53][C@@:54]3([C:55]([O:56][H:98])([H:99])[H:100])[H:101])([H:102])[C@@:57]([O:58][H:103])([H:104])[C@:59]2([O:60][H:105])[H:106])([H:77])[O:32][C@@:33]([C:34]([O:35][H:78])([H:79])[H:80])([H:81])[C@:36]([O:37][H:82])([H:83])[C@@:38]1([O:39][H:84])[H:85])[H:86])([H:87])([H:88])[H:89].[H][O:7][P:8](=[O:9])([O:10][H:64])[O:11][P:12](=[O:13])([O:14][H:65])[O:15][C:16]([C@@:17]1([H:66])[O:18][C@:19]([N:20]2:[C:21]([H:67]):[C:22]([H:68]):[C:23](=[O:24]):[N:25]([H:69]):[C:26]:2=[O:27])([H:70])[C@@:28]([O:29][H:71])([H:72])[C@@:30]1([O:31][H:73])[H:74])([H:75])[H:76]