查数据/反应详情

HRID151629

反应详情

EQUATION

反应方程式

HRID 151629 的结构方程式

REACTANTS

反应物

2

结构：NCC(F)(F)F

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

结构：Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1c(F)cccc1F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-196d6a3c82dd45739b152ce807533e8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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

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