HRID2155393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID178446679

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)Oc1ccccc1)C(=O)NC(C)COc1ccc(C#N)cc1

HCID178446694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f19f6917401442aab1d939b9ec07c6b
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

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