n,n-Dimethylpiperazine-1-carboxamide → 4-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1-isopropyl-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:29](=[O:30])[OH:31])[n:22]([CH:26]([CH3:27])[CH3:28])[c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH3:32][N:33]([C:34](=[O:35])[N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[CH3:42]>>[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:29](=[O:31])[N:39]4[CH2:38][CH2:37][N:36]([C:34]([N:33]([CH3:32])[CH3:42])=[O:35])[CH2:41][CH2:40]4)[n:22]([CH:26]([CH3:27])[CH3:28])[c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1

참가 물질

반응물 2

HCID 712909n,n-Dimethylpiperazine-1-carboxamide

HCID 685382125-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1-isopropyl-1H-indole-2-carboxylic acid

생성물 1

HCID 685366214-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1-isopropyl-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-97e2e6c6a5a347dc802cfb259f856707
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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