3-(2-Chloro-pyrimidin-4-yl)-benzaldehyde → 1-[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-piperazine-2-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 249019653-(2-Chloro-pyrimidin-4-yl)-benzaldehyde

HCID 866033214-[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester

생성물 1

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

출처 및 근거

ORD 기록: ord-03fd1ed8ddda4bcd8af25af48ad17a8a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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