Dichloromethane → 4-[4-(5-Chloro-thiophen-2-yl)-benzyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one

반응식

[C:1]([O:2][C:3](=[O:4])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:37])[CH2:20][N:21]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[s:32][c:33]([Cl:36])[cH:34][cH:35]4)[cH:29][cH:30]3)[CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12)([CH3:5])([CH3:6])[CH3:7].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[nH:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:37])[CH2:20][N:21]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[s:32][c:33]([Cl:36])[cH:34][cH:35]4)[cH:29][cH:30]3)[CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 69027424HCID 69027424, 화합물

생성물 1

HCID 670135884-[4-(5-Chloro-thiophen-2-yl)-benzyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one

출처 및 근거

ORD 기록: ord-3e0a89901a91476283d768f657f3dd53
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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