Benzene → HCID 19874519, compound

HRID 182307Notes

Reaction equation

HRID 182307 reaction equation
[CH2:1]([C:2](=[O:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:16](=[O:17])[O:18][CH3:19])[o:15]2)[cH:20][cH:21]1.[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[OH2:33].[OH:22][CH:23]([CH2:24][NH2:25])[c:26]1[cH:27][c:28]([Cl:32])[cH:29][cH:30][cH:31]1.[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([CH:2]([CH3:4])[NH:25][CH2:24][CH:23]([OH:22])[c:26]1[cH:27][c:28]([Cl:32])[cH:29][cH:30][cH:31]1)[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:16](=[O:17])[O:18][CH3:19])[o:15]2)[cH:20][cH:21]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 8058HexaneHCID 37516012-Amino-1-(3-chlorophenyl)ethan-1-olHCID 19874534HCID 19874534, compound

Product 1

HCID 19874519HCID 19874519, compound

Sources & evidence

ORD record
ord-779f52212a244178a8c6a9811eb9d984
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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