HRID158192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(c1cccc2ccccc12)N(CC1CNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435709

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CN(C(=O)Nc2ccccc2)CC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d39f9d7dfa94425e939137750836e33e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:33][CH2:34][Cl:35].[O:36]=[C:37]=[N:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:1]1([CH:11]([CH3:12])[N:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:21][CH:22]2[CH2:23][NH:24][CH2:25][CH:26]2[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH:11]([CH3:12])[N:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:21][CH:22]2[CH2:23][N:24]([C:37](=[O:36])[NH:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:25][CH:26]2[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12