HRID1234717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

结构：O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1

HCID25157378

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(F)(F)F)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1

HCID11340696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe9c8c20615c4397a7c97536b934bce1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:41]([Cl:42])([Cl:43])[Cl:44].[Cl-:8].[Cl:9][c:10]1[cH:11][c:12]([C:17]2([C:31]([F:32])([F:33])[F:34])[CH2:18][C:19]([c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]3)=[N:20][O:21]2)[cH:13][c:14]([Cl:16])[cH:15]1.[F:35][C:36]([CH2:37][NH2:38])([F:39])[F:40].[OH2:45]>>[Cl:9][c:10]1[cH:11][c:12]([C:17]2([C:31]([F:32])([F:33])[F:34])[CH2:18][C:19]([c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:38][CH2:37][C:36]([F:35])([F:39])[F:40])[cH:29][cH:30]3)=[N:20][O:21]2)[cH:13][c:14]([Cl:16])[cH:15]1