Thionyl Chloride → N-(1-Benzyl-1H-pyrazol-3-yl)-3-isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzamide

HRID 665655

반응식

HRID 665655 반응식
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[n:29]1[n:30][c:31]([NH2:34])[cH:32][cH:33]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([O:14][CH2:15][CH2:16][c:17]2[cH:18][s:19][cH:20][cH:21]2)[cH:13]1.[S:35]([Cl:36])([Cl:37])=[O:38]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:10])[NH:34][c:31]2[n:30][n:29]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:33][cH:32]2)[cH:11][c:12]([O:14][CH2:15][CH2:16][c:17]2[cH:18][s:19][cH:20][cH:21]2)[cH:13]1

참가 물질

4

반응물 3

HCID 24386Thionyl ChlorideHCID 15086161-benzyl-1H-pyrazol-3-amineHCID 585289133-Isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzoic acid

생성물 1

HCID 25261820N-(1-Benzyl-1H-pyrazol-3-yl)-3-isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzamide

출처 및 근거

ORD 기록
ord-e7ec68b098fb431c983fe28b4e076e01
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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