HRID677539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

HCID7972

4-Methylmorpholine

C5H11NO

反应SMILES：CC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCNCC1

HCID20737703

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C(=O)Nc2ccccc2)CC1

HCID22260529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fbd9660884aa451ca2c19904fcb6ed45
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:2](#[N:3])[C:4]1([NH:10][C:11](=[O:12])[CH:13]([CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[NH:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1.[CH2:44]([Cl:45])[Cl:46].[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[ClH:1].[O:28]=[C:29]=[N:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:2](#[N:3])[C:4]1([NH:10][C:11](=[O:12])[CH:13]([CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[NH:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[CH2:5][CH2:6][N:7]([C:29](=[O:28])[NH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:8][CH2:9]1