4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine → Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-(4-morpholin-4-ylphenyl)benzoate

반응식

[CH3:39][C:40]1([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45][B:46]([c:47]2[cH:48][cH:49][c:50]([N:53]3[CH2:54][CH2:55][O:56][CH2:57][CH2:58]3)[cH:51][cH:52]2)[O:59]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH2:21][O:22][CH2:23][C:24](=[O:25])[NH:26][c:27]2[c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][c:34]([Br:37])[cH:35][cH:36]2)=[O:38])[CH2:18][CH2:19]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH2:21][O:22][CH2:23][C:24](=[O:25])[NH:26][c:27]2[c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][c:34](-[c:47]3[cH:48][cH:49][c:50]([N:53]4[CH2:54][CH2:55][O:56][CH2:57][CH2:58]4)[cH:51][cH:52]3)[cH:35][cH:36]2)=[O:38])[CH2:18][CH2:19]1

참가 물질

반응물 2

HCID 27953614-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine

HCID 51040586Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-bromobenzoate

생성물 1

HCID 67164420Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-(4-morpholin-4-ylphenyl)benzoate

출처 및 근거

ORD 기록: ord-6c21bc65a2e64f5b94e2808391c1a2db
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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