Water → HCID 57752826, compound

HRID 2133697Notes

Reaction equation

HRID 2133697 reaction equation
[CH2:32]([CH2:33][CH2:34][OH:35])[OH:36].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([Cl:9])[c:7]1[CH3:8])[n:10][cH:11][c:12]2[CH:13]=[O:14].[OH2:37].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([O-:21])(=[O:22])=[O:23])[cH:24][cH:25]1.[nH+:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([Cl:9])[c:7]1[CH3:8])[n:10][cH:11][c:12]2[CH:13]1[O:14][CH2:32][CH2:33][CH2:34][O:35]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 104421,3-PropanediolHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 57752942HCID 57752942, compound

Product 1

HCID 57752826HCID 57752826, compound

Sources & evidence

ORD record
ord-eb89f864eebb4674885a2e5da0dcb516
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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