Water → HCID 67019962, compound

HRID 2313581Notes

Reaction equation

HRID 2313581 reaction equation
[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2-[c:14]2[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[O:22][C:23]([CH3:33])([CH3:34])[CH2:24][C:25]3([OH:26])[CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:6][cH:7]1.[OH2:35].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2-[c:14]2[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[O:22][C:23]([CH3:33])([CH3:34])[CH2:24][C:25]3=[CH:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 67023905HCID 67023905, compound

Product 1

HCID 67019962HCID 67019962, compound

Sources & evidence

ORD record
ord-ce53290ac8bb4f5481bbdd66f0d8c980
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…