EVODEX.1-P3530

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E76 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]-[#15:21].([#6:42]-[#6@@:43](-[#8:44])(-[H:85])-[#6@:45].[#15:56]-[#8:58]-[H])>>([#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:58]-[#15:56].[#8:44]-[#6@@:43](-[#6@:45])(-[H:85])-[#6:42]).[#8:20](-[#15:21])-[H]

EVODEX.1-C887 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:21]-[#15:22].[#6@@:13]).[H]-[#8:54]>>([H]-[#8:21].[#6@:13]).[#15:22]-[#8:54]

EVODEX.1-N1230 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:7]-[#6@@:8](-[#8:9])(-[H:62])-[#6@:10].[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]).[H]-[#8:50]-[#15:48]>>([H]-[#8:20]-[#15:17].[#8:9]-[#6@@:8](-[#6@:10])(-[H:62])-[#6:7]).[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8:50]-[#15:48]

EVODEX.1-Em47 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]

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-Nm53 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]

Source Full Reactions

EVODEX.1-R4233

Full Reaction Rendering

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