1-Piperazinecarboxylic acid, ethyl ester → 4-[2-(4-ethoxycarbonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 84311-Piperazinecarboxylic acid, ethyl ester

HCID 685356295-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1H-indole-2-carboxylic acid

생성물 1

HCID 685365464-[2-(4-ethoxycarbonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-72cf17643c1c4d41b4efa6bc202a689c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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