3-Methoxytyramine → 4-(3-{2-[2-(4-Hydroxy-3-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester

HRID 694695Notes

Reaction equation

HRID 694695 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23]([Cl:27])[n:24][cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[NH2:28][CH2:29][CH2:30][c:31]1[cH:32][c:33]([O:38][CH3:39])[c:34]([OH:37])[cH:35][cH:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23]([NH:28][CH2:29][CH2:30][c:31]4[cH:32][c:33]([O:38][CH3:39])[c:34]([OH:37])[cH:35][cH:36]4)[n:24][cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

3

Reactant 2

HCID 16693-MethoxytyramineHCID 866032444-[3-(2-Chloro-pyrimidin-4-yl)-phenylamino]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 586035954-(3-{2-[2-(4-Hydroxy-3-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-15b8004c47834586a05ee0fcc4059293
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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