Isopropanol → p-Toluenesulfonic acid

HRID 697899Notes

Reaction equation

HRID 697899 reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:11](=[C:12]([C:13]([F:14])([F:15])[F:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:9][cH:10]1.[CH2:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[NH2:35].[CH3:47][O:48][CH2:49][CH2:50][OH:51].[CH:52]([OH:53])([CH3:54])[CH3:55].[c:36]1([CH3:46])[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[OH:45])[cH:40][cH:41]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:11](=[C:12]([C:13]([F:14])([F:15])[F:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:9][cH:10]1)[NH:35][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[c:36]1([CH3:46])[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[OH:45])[cH:40][cH:41]1

Participants

7

Reactant 5

HCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 80192-MethoxyethanolHCID 8102HexylamineHCID 53696769HCID 53696769, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 53701856HCID 53701856, compound

Sources & evidence

ORD record
ord-1ad4840002e44efaa085a670e5d6de3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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