HRID673473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID76639

Benzyl isocyanate

C8H7NO

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)NCc2ccccc2)CC1

HCID22260430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1fbff1087643407c84ec58bbed02aae7
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.[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[N:35]=[C:36]=[O:37].[CH2:45]([Cl:46])[Cl:47].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[ClH: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:36]([NH:35][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:37])[CH2:8][CH2:9]1