Tyramine → 1-(3-{2-[2-(4-Hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-piperazine-2-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 5610Tyramine

HCID 866033201-[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-piperazine-2-carboxylic acid

생성물 1

HCID 586036781-(3-{2-[2-(4-Hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-piperazine-2-carboxylic acid

출처 및 근거

ORD 기록: ord-339e4841842344efb8e96e2cfa95e318
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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