Benzyl Alcohol → p-Toluenesulfonate

HRID 174643

Reaction equation

HRID 174643 reaction equation
[C:34]([Cl:35])([Cl:36])([Cl:37])[Cl:38].[CH2:39]([O:40][CH2:41][CH3:42])[CH3:43].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:6][cH:7]1.[OH2:22].[OH:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[c:23]1([CH3:33])[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[OH:32])[cH:27][cH:28]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][C:11]([O:12][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:13])[cH:6][cH:7]1.[c:23]1([CH3:33])[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[O-:32])[cH:27][cH:28]1

Participants

8

Reactant 6

HCID 244Benzyl AlcoholHCID 962WaterHCID 3283Diethyl EtherHCID 5943Carbon TetrachlorideHCID 6101p-Toluenesulfonic acidHCID 270494-(4-Aminophenyl)butanoic acid

Product 2

HCID 85570p-ToluenesulfonateHCID 54272448HCID 54272448, compound

Sources & evidence

ORD record
ord-fa81a1f86ccc4248ad2e6febc1159103
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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