EVODEX.1-P1341

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E234 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:51]-[#6:52](-[#6:53](=[#8:54])-[#8:55])(-[H:83])-[H:84].[#6:56](-[#6:57])(-[H:104])(-[H:105])-[H]>>[#6:53](=[#8:54])(-[#8:55])-[#6:56](-[#6:57])(-[H:104])-[H:105].[#6:51]-[#6:52](-[H:83])(-[H:84])-[H]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N286 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:24])-[H:25].[#6:10]-[#6:11](-[#6:12](=[#8:13])-[#8:14])(-[H:28])-[H:29]>>[#6:1](-[#6:2])(-[#6:12](=[#8:13])-[#8:14])(-[H:24])-[H:25].[H]-[#6:11](-[#6:10])(-[H:28])-[H:29]

EVODEX.1-Em409 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:10]-[#6:11]-[#6:12](=[#8:13])-[#8:14]>>[#6:1](-[#6:2])-[#6:12](=[#8:13])-[#8:14].[H]-[#6:11]-[#6:10]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm369 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:10]-[#6:11]-[#6:12](=[#8:13])-[#8:14]>>[#6:1](-[#6:2])-[#6:12](=[#8:13])-[#8:14].[H]-[#6:11]-[#6:10]

Source Full Reactions

EVODEX.1-R1861

Full Reaction Rendering

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