HRID144507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

结构：CC(C)(C)CC1CNC(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID67336394

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CN(C(=O)Cl)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76776161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b58725fc64f04199a6a9129d612523f5
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

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