HRID2156809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)N

HCID67051056

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NC(=O)NC(C)C

HCID67051122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6922cbfb40974bcd9e40219e7ee4b15a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([cH:15][n:16][c:17]2[cH:18]1)[n:19][c:20]([CH2:27][O:28][CH2:29][CH3:30])[n:21]3[CH2:22][C:23]([CH3:24])([CH3:25])[NH2:26].[CH:31]([CH3:32])([CH3:33])[N:34]=[C:35]=[O:36].[Cl:37][CH2:38][Cl:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([cH:15][n:16][c:17]2[cH:18]1)[n:19][c:20]([CH2:27][O:28][CH2:29][CH3:30])[n:21]3[CH2:22][C:23]([CH3:24])([CH3:25])[NH:26][C:35]([NH:34][CH:31]([CH3:32])[CH3:33])=[O:36]