HRID702106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18972759

未命名化合物

HCID22026200

3,4-Xylyl chloroformate

C9H9ClO2

PRODUCTS

生成物

结构：Cc1ccc(OC(=O)NC(C(=O)NC(C)COc2ccc(C#N)cc2)C(C)C)cc1C

HCID178426891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62dec37e35c548f8b20a7eafb5817131
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:20](#[N:21])[c:22]1[cH:23][cH:24][c:25]([O:26][CH2:27][CH:28]([CH3:29])[NH:30][C:31]([CH:32]([NH2:33])[CH:34]([CH3:35])[CH3:36])=[O:37])[cH:38][cH:39]1.[CH2:41]([Cl:42])[Cl:43].[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][c:14]([CH3:19])[c:15]([CH3:18])[cH:16][cH:17]1.[OH2:40]>>[C:9](=[O:10])([O:11][c:12]1[cH:13][c:14]([CH3:19])[c:15]([CH3:18])[cH:16][cH:17]1)[NH:33][CH:32]([C:31]([NH:30][CH:28]([CH2:27][O:26][c:25]1[cH:24][cH:23][c:22]([C:20]#[N:21])[cH:39][cH:38]1)[CH3:29])=[O:37])[CH:34]([CH3:35])[CH3:36]