HRID1223199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1031

1-Propanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

HCID58964255

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1

HCID11577071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5a1326ba89a4836a9862148c5f9562c
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

[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH2:43]([OH:44])[CH2:45][CH3:46].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([NH2:23])[cH:11][cH:12][c:13]2[O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:4]([CH3:7])[n:5][cH:6]1.[F:24][C:25]([c:26]1[cH:27][c:28]([C:29](=[O:30])[Cl:31])[cH:32][cH:33][cH:34]1)([F:35])[F:36]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([NH:23][C:29]([c:28]3[cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:34][cH:33][cH:32]3)=[O:30])[cH:11][cH:12][c:13]2[O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:4]([CH3:7])[n:5][cH:6]1