HRID1550075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6371

Phosgene

CCl2O

结构：CCOc1cc(C(C)(C)C(=O)N(CC)CC)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1

HCID67246840

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C(=O)N(CC)CC)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID87323001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29e756f3de4944c0bc4721cd79625dde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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