Pyridine → {4-[1-(2,4-Dichloro-benzoyl)-1H-pyrazol-3-yl]-phenyl}-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 666452,4-Dichlorobenzoyl chloride

HCID 178519422HCID 178519422, 화합물

생성물 1

HCID 9936711{4-[1-(2,4-Dichloro-benzoyl)-1H-pyrazol-3-yl]-phenyl}-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone

출처 및 근거

ORD 기록: ord-39a21cbd874544fa93d48eabdb7fb1bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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