1-methyl-1H-imidazole-4-sulfonyl chloride → 3-(3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrimidin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester

반응식

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

참가 물질

반응물 2

HCID 27368871-methyl-1H-imidazole-4-sulfonyl chloride

HCID 536352203-{3-[(4-Pyrimidin-2-yl-benzylamino)-methyl]-phenyl}-propionic acid methyl ester

생성물 1

HCID 544437393-(3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrimidin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester

출처 및 근거

ORD 기록: ord-98fb7ad1c99148dd94be3646fb22b92c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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