HRID1558826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID82385

Benzoic acid, 4-(chlorosulfonyl)-

C7H5ClO4S

HCID4737406

未命名化合物

HCID40151925

4-Chloro-3-(pyridin-2-yl)aniline

C11H9ClN2

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1

HCID58614787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-722a24b95b7a4309bbd11ec44261c1c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Cl:14][c:15]1[c:16](-[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:17][c:18]([NH2:19])[cH:20][cH:21]1.[Cl:1][S:2]([c:3]1[cH:4][cH:5][c:6]([C:7]([OH:8])=[O:9])[cH:10][cH:11]1)(=[O:12])=[O:13].[F:28][C:29]([CH2:30][NH:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]1)([F:44])[F:45].[F:46][C:47]([F:48])([F:49])[CH2:50][NH2:51]>>[Cl:14][c:15]1[c:16](-[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:17][c:18]([NH:19][C:39]([c:38]2[cH:37][cH:36][c:35]([S:32]([NH:31][CH2:30][C:29]([F:28])([F:44])[F:45])(=[O:33])=[O:34])[cH:43][cH:42]2)=[O:40])[cH:20][cH:21]1