Acetone → Tert-butyl 2-(2-(methoxymethoxy)-5-((4-methylpiperazin-1-yl)methyl)benzamido)-4-phenylbenzoate

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 531671-Methylpiperazine

HCID 66990849Tert-butyl 2-(5-(bromomethyl)-2-(methoxymethoxy)benzamido)-4-phenylbenzoate

생성물 1

HCID 66990856Tert-butyl 2-(2-(methoxymethoxy)-5-((4-methylpiperazin-1-yl)methyl)benzamido)-4-phenylbenzoate

출처 및 근거

ORD 기록: ord-4d7afadea3f34f0cb8ad4a770dddd9f4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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