1-methyl-1H-imidazole-4-sulfonyl chloride → (3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrazol-1-yl-benzyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

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

HCID 54338479{3-[(4-Pyrazol-1-yl-benzylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester

생성물 1

HCID 54281326(3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrazol-1-yl-benzyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-55e8cd66413b4758ad55e6f3d79810b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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