2-(1H-Indol-3-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester → 4-[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-2-(1H-indol-3-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 223428892-(1H-Indol-3-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester

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

생성물 1

HCID 866033034-[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-2-(1H-indol-3-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-4e6ea3013c8141b59c507613e62999b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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