Water → HCID 17940770, compound

HRID 668900Notes

Reaction equation

HRID 668900 reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[OH2:36].[OH:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][Br:10])([c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[c:18]1[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]1.[c:25]1([CH3:26])[c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33][cH:34][cH:35]1>>[C:2](=[CH:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][Br:10])([c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[c:18]1[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 69252-Methylbenzenesulfonic acidHCID 17940780HCID 17940780, compound

Product 1

HCID 17940770HCID 17940770, compound

Sources & evidence

ORD record
ord-84b354e7accd4f8781685ce072527b0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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