HRID122670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID3159625

4-Pyridinebutanoic acid

C9H11NO2

结构：CC(=O)OCCc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2N)cc1

HCID21875555

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2NC(=O)CCCc2ccncc2)cc1

HCID21876433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfe60838066a41fcb5250f5617ee35dc
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

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