HRID90522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

结构：Cn1nc(-c2c(F)cccc2Cl)nc1C(O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

HCID53993399

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(-c2c(F)cccc2Cl)nc1C(F)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

HCID54075328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5807e5bf766401d8ade9b74211759e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:35]([N:36]([S:37]([F:38])([F:39])[F:41])[CH2:40][CH3:42])[CH3:43].[Cl:1][c:2]1[c:3]([O:12][c:13]2[cH:14][cH:15][c:16]([CH:17]([OH:18])[c:19]3[n:20][c:21](-[c:25]4[c:26]([Cl:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[n:22][n:23]3[CH3:24])[cH:33][cH:34]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[OH2:44].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[Cl:1][c:2]1[c:3]([O:12][c:13]2[cH:14][cH:15][c:16]([CH:17]([c:19]3[n:20][c:21](-[c:25]4[c:26]([Cl:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[n:22][n:23]3[CH3:24])[F:41])[cH:33][cH:34]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1