HRID672397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18972759

未命名化合物

HCID22019180

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(OC(=O)NC(C(=O)NC(C)COc2ccc(C#N)cc2)C(C)C)c1

HCID178491556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70dee638d2b44e26a03e90fc837e5c5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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