tert-Butyl 2-methylpiperazine-1-carboxylate → CID 77185548

반응식

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

참가 물질

반응물 2

HCID 15087784tert-Butyl 2-methylpiperazine-1-carboxylate

HCID 671303306-Bromo-4-(bromomethyl)-2-(phenylsulfonyl)isoquinolin-1(2H)-one

생성물 1

HCID 178430434CID 77185548

출처 및 근거

ORD 기록: ord-501cc107ff67470bb73020daacb24b5a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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