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Bicarbonate Ion → 2-(2-Cyanovinyl)-4,5-dimethoxyphenyl dimethylsulphamate

HRID 202815
Notes
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Reaction equation

HRID 202815 reaction equation
[C:33](=[O:34])([O-:35])[OH:36].[C:3](#[N:4])[CH2:5][P:6](=[O:7])([O:8][CH2:9][CH3:10])[O:11][CH2:12][CH3:13].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:14][N:15]([S:16]([O:17][c:18]1[c:19]([CH:28]=[O:29])[cH:20][c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]1)(=[O:30])=[O:31])[CH3:32].[CH:43]([O:44][CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[H-:1].[Na+:2].[Na+:37].[OH2:50]>>[C:3](#[N:4])[CH:5]=[CH:28][c:19]1[c:18]([O:17][S:16]([N:15]([CH3:14])[CH3:32])(=[O:30])=[O:31])[cH:23][c:22]([O:24][CH3:25])[c:21]([O:26][CH3:27])[cH:20]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium Ion2×HCID 962WaterHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 75676Diethyl (cyanomethyl)phosphonateHCID 166653Hydride
HCID 86643008
2-Formyl-4,5-dimethoxyphenyl dimethylsulphamate

Product 1

HCID 666575792-(2-Cyanovinyl)-4,5-dimethoxyphenyl dimethylsulphamate

Sources & evidence

ORD record
ord-485742001f7e455cb050a909f4fcb610
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes