Water → HCID 12115482, compound

HRID 165038Notes

Reaction equation

HRID 165038 reaction equation
[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[OH2:16].[OH:1][C:2]([CH2:3][CH2:4][CH:5]([CH3:6])[CH3:7])([CH3:8])[c:9]1[c:10]([NH2:11])[cH:12][cH:13][cH:14][cH:15]1.[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1>>[CH:2]([CH2:3][CH2:4][CH:5]([CH3:6])[CH3:7])([CH3:8])[c:9]1[c:10]([NH2:11])[cH:12][cH:13][cH:14][cH:15]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 12115481HCID 12115481, compound

Product 1

HCID 12115482HCID 12115482, compound

Sources & evidence

ORD record
ord-d31c3a0381af4f5faa6e311568b6eb26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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