EVODEX.1-P5972

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:57]):[N:8]:2[C@:9]2([H:58])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:59])[O:17][P:18](=[O:19])([O:20][H:60])[O:21][P:22](=[O:23])([O:24][H:61])[O:25][P:26](=[O:27])([O:28][H:62])[O:29][C:30]([C@@:31]3([H:63])[O:32][C@:33]([N:34]4:[C:35]([H:64]):[N:36]:[C:37]5:[C:38](=[O:39]):[N:40]([H:65]):[C:41]([N:42]([H:66])[H:67]):[N:43]:[C:44]:4:5)([H:68])[C@@:45]([O:46][H:69])([H:70])[C@@:47]3([O:48][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:49]([O:50][H:78])([H:79])[C@:51]2([O:52][H:80])[H:81]):[C:53](=[O:54]):[N:55]:1[H:82])([H:83])[H:84].[H][O:56][H:85]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:57]):[N:8]:2[C@:9]2([H:58])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:59])[O:56][H:85])([H:75])[H:76])([H:77])[C@:49]([O:50][H:78])([H:79])[C@:51]2([O:52][H:80])[H:81]):[C:53](=[O:54]):[N:55]:1[H:82])([H:83])[H:84].[H][O:17][P:18](=[O:19])([O:20][H:60])[O:21][P:22](=[O:23])([O:24][H:61])[O:25][P:26](=[O:27])([O:28][H:62])[O:29][C:30]([C@@:31]1([H:63])[O:32][C@:33]([N:34]2:[C:35]([H:64]):[N:36]:[C:37]3:[C:38](=[O:39]):[N:40]([H:65]):[C:41]([N:42]([H:66])[H:67]):[N:43]:[C:44]:2:3)([H:68])[C@@:45]([O:46][H:69])([H:70])[C@@:47]1([O:48][H:71])[H:72])([H:73])[H:74]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E73 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:42](-[H:66])-[H]>>[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:42]-[H:66].[#8:37](-[#15:38])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N883 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:17]-[#15:18].[H]-[#8:56]-[H:85]>>[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:56]-[H:85].[H]-[#8:17]-[#15:18]

EVODEX.1-Em123 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm157 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

Source Full Reactions

EVODEX.1-R6617

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:57]):[N:8]:2[C@:9]2([H:58])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:59])[O:17][P:18](=[O:19])([O:20][H:60])[O:21][P:22](=[O:23])([O:24][H:61])[O:25][P:26](=[O:27])([O:28][H:62])[O:29][C:30]([C@@:31]3([H:63])[O:32][C@:33]([N:34]4:[C:35]([H:64]):[N:36]:[C:37]5:[C:38](=[O:39]):[N:40]([H:65]):[C:41]([N:42]([H:66])[H:67]):[N:43]:[C:44]:4:5)([H:68])[C@@:45]([O:46][H:69])([H:70])[C@@:47]3([O:48][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:49]([O:50][H:78])([H:79])[C@:51]2([O:52][H:80])[H:81]):[C:53](=[O:54]):[N:55]:1[H:82])([H:83])[H:84].[H][O:56][H:85]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:57]):[N:8]:2[C@:9]2([H:58])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:59])[O:56][H:85])([H:75])[H:76])([H:77])[C@:49]([O:50][H:78])([H:79])[C@:51]2([O:52][H:80])[H:81]):[C:53](=[O:54]):[N:55]:1[H:82])([H:83])[H:84].[H][O:17][P:18](=[O:19])([O:20][H:60])[O:21][P:22](=[O:23])([O:24][H:61])[O:25][P:26](=[O:27])([O:28][H:62])[O:29][C:30]([C@@:31]1([H:63])[O:32][C@:33]([N:34]2:[C:35]([H:64]):[N:36]:[C:37]3:[C:38](=[O:39]):[N:40]([H:65]):[C:41]([N:42]([H:66])[H:67]):[N:43]:[C:44]:2:3)([H:68])[C@@:45]([O:46][H:69])([H:70])[C@@:47]1([O:48][H:71])[H:72])([H:73])[H:74]