HRID1218434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID12705463

未命名化合物

HCID18972759

未命名化合物

PRODUCTS

生成物

结构：CC1CCCC(OC(=O)NC(C(=O)NC(C)COc2ccc(C#N)cc2)C(C)C)C1

HCID178425778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d8a3c9f5f3c4f1aad22ca618977a38c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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