1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)- → 2-(4-bromophenyl)-5-cyclopropyl-6-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl](methylsulfonyl)amino}-N-methyl-2H-indazole-3-carboxamide

반응식

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

참가 물질

반응물 2

HCID 113251H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-

HCID 56962687HCID 56962687, 화합물

생성물 1

HCID 569627712-(4-bromophenyl)-5-cyclopropyl-6-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl](methylsulfonyl)amino}-N-methyl-2H-indazole-3-carboxamide

출처 및 근거

ORD 기록: ord-baede53132dd4db7a65b84e7fc1f02d5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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