HRID2149990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID67668

4-Chloro-7-(trifluoromethyl)quinoline

C10H5ClF3N

结构：Nc1ccc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)cc1

HCID13825043

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCC(C(O)c2ccc(F)cc2)CC1

HCID13825070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d55456bc9b64148b5cdc3ebac623366
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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