Water → HCID 53750535, compound

HRID 2141089Notes

Reaction equation

HRID 2141089 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[c:10]1[c:11]([CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[OH:22])[cH:12][cH:13][cH:14][cH:15]1.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[OH2:23].[OH2:42].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[c:10]1[c:11]([CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:12][cH:13][cH:14][cH:15]1

Participants

5

Reactant 4

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 21273100HCID 21273100, compound

Product 1

HCID 53750535HCID 53750535, compound

Sources & evidence

ORD record
ord-4af52077d19f4eb8b5def81f41021cfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…