HRID97011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID522854

3-(Trifluoromethoxy)benzoyl chloride

C8H4ClF3O2

结构：N=C1NC(C(F)(F)F)(C(F)(F)F)C(=C(F)C(F)(F)F)S1

HCID178508427

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1=NC(C(F)(F)F)(C(F)(F)F)C(=C(F)C(F)(F)F)S1)c1cccc(OC(F)(F)F)c1

HCID54460595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee7271619ceb48049c88497f375fb4fe
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

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