Tetrahydro-4H-pyran-4-one → (4-Methanesulfonyl-piperazin-1-yl)-{5-[4-(tetrahydro-pyran-4-yl)-[1,4]diazepane-1-carbonyl]-1H-indol-2-yl}-methanone

반응식

[C:1]([O:2][C:3](=[O:4])[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:28]4[CH2:29][CH2:30][N:31]([S:34](=[O:35])(=[O:36])[CH3:37])[CH2:32][CH2:33]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[O:38]1[CH2:39][CH2:40][C:41](=[O:44])[CH2:42][CH2:43]1>>[N:8]1([CH:41]2[CH2:40][CH2:39][O:38][CH2:43][CH2:42]2)[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:28]4[CH2:29][CH2:30][N:31]([S:34](=[O:35])(=[O:36])[CH3:37])[CH2:32][CH2:33]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1

참가 물질

반응물 2

HCID 121599Tetrahydro-4H-pyran-4-one

HCID 685367474-[2-(4-methanesulfonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

생성물 1

HCID 68534110(4-Methanesulfonyl-piperazin-1-yl)-{5-[4-(tetrahydro-pyran-4-yl)-[1,4]diazepane-1-carbonyl]-1H-indol-2-yl}-methanone

출처 및 근거

ORD 기록: ord-bba680b7dd23454fa95d42e8293d23eb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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