2-Chloropyridine-4-boronic acid → (4-Benzenesulfonyl-piperazin-1-yl)-[1-(2-chloro-pyridin-4-yl)-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

HRID 148322

반응식

HRID 148322 반응식
[Cl:38][c:39]1[n:40][cH:41][cH:42][c:43]([B:45]([OH:46])[OH:47])[cH:44]1.[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[c:18]3[nH:19][c:20]4[cH:21][cH:22][c:23]([C:27](=[O:28])[N:29]5[CH2:30][CH2:31][N:32]([CH:35]([CH3:36])[CH3:37])[CH2:33][CH2:34]5)[cH:24][c:25]4[cH:26]3)[CH2:14][CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[c:18]3[n:19](-[c:43]4[cH:42][cH:41][n:40][c:39]([Cl:38])[cH:44]4)[c:20]4[cH:21][cH:22][c:23]([C:27](=[O:28])[N:29]5[CH2:30][CH2:31][N:32]([CH:35]([CH3:36])[CH3:37])[CH2:33][CH2:34]5)[cH:24][c:25]4[cH:26]3)[CH2:14][CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

3

반응물 2

HCID 51515952-Chloropyridine-4-boronic acidHCID 68535846(4-Benzenesulfonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

생성물 1

HCID 86621929(4-Benzenesulfonyl-piperazin-1-yl)-[1-(2-chloro-pyridin-4-yl)-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

출처 및 근거

ORD 기록
ord-c2fa2010d6f740d899a8725609aac748
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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