Water → HCID 57996833, compound

HRID 186601Notes

Reaction equation

HRID 186601 reaction equation
[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:1][c:2]1[cH:3][c:4]([C:8]2([OH:25])[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][CH:17]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[OH2:26].[OH2:45].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[F:1][c:2]1[cH:3][c:4]([C:8]2=[CH:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][CH:17]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 57996858HCID 57996858, compound

Product 1

HCID 57996833HCID 57996833, compound

Sources & evidence

ORD record
ord-9f773345264a40f3b7041d0e4d482d87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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