2-(4-Bromo-2-methylphenyl)ethanol → HCID 68818314, compound

HRID 2156000Notes

Reaction equation

HRID 2156000 reaction equation
[Br:59][c:60]1[cH:61][cH:62][c:63]([CH2:64][CH2:65][OH:66])[c:67]([CH3:68])[cH:69]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14]([O:15][CH2:16][CH3:17])=[O:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:38])[cH:33][c:34]([Br:37])[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1.[NH2:39][c:40]1[cH:41][c:42]([CH:43]([NH:44][C:45](=[O:46])[O:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH3:55])[cH:56][cH:57][cH:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH3:13])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:38])[cH:33][c:34]([Br:37])[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1

Participants

4

Reactant 3

HCID 578428522-(4-Bromo-2-methylphenyl)ethanolHCID 76580857HCID 76580857, compoundHCID 178472118HCID 178472118, compound

Product 1

HCID 68818314HCID 68818314, compound

Sources & evidence

ORD record
ord-7b7c98e445754fb1a2bd6a4e6cef40ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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