Hydrogen Bromide → tert-Butyl-(3-{2-[2-(3-chloro-4-hydroxy-phenyl)-ethylamino]pyrimidin-4-yl}-benzyl)-carbamic acid allyl ester

HRID 300209Notes

Reaction equation

HRID 300209 reaction equation
[BrH:26].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5]([N:6]([CH2:7][c:8]1[cH:9][c:10](-[c:14]2[n:15][c:16]([Cl:20])[n:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1)[C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25].[NH2:27][CH2:28][CH2:29][c:30]1[cH:31][c:32]([Cl:37])[c:33]([OH:36])[cH:34][cH:35]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5]([N:6]([CH2:7][c:8]1[cH:9][c:10](-[c:14]2[n:15][c:16]([NH:27][CH2:28][CH2:29][c:30]3[cH:31][c:32]([Cl:37])[c:33]([OH:36])[cH:34][cH:35]3)[n:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1)[C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25]

Participants

4

Reactant 3

HCID 260Hydrogen BromideHCID 230715554-(2-Aminoethyl)-2-chlorophenolHCID 86603311tert-Butyl-[3-(2-chloro-pyrimidin-4-yl)-benzyl]-carbamic acid allyl ester

Product 1

HCID 67045639tert-Butyl-(3-{2-[2-(3-chloro-4-hydroxy-phenyl)-ethylamino]pyrimidin-4-yl}-benzyl)-carbamic acid allyl ester

Sources & evidence

ORD record
ord-013785d936da4f1a969bdf7b34bbe234
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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