Water → HCID 54245100, compound

HRID 119357Notes

Reaction equation

HRID 119357 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH:16]([CH:17]2[C:18](=[O:24])[N:19]([CH3:23])[O:20][CH2:21][CH2:22]2)[OH:25])[n:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[OH2:26].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH:16]=[C:17]2[C:18](=[O:24])[N:19]([CH3:23])[O:20][CH2:21][CH2:22]2)[n:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 19759043HCID 19759043, compound

Product 1

HCID 54245100HCID 54245100, compound

Sources & evidence

ORD record
ord-3053f06a580b44d7bff6a5687ee2fc29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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