HRID697605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C=CC(=O)O)cc2)CC(C)(C)C1

HCID68654225

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C=CC(N)=O)cc2)CC(C)(C)C1

HCID68654568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08aaa674d2544dbab420ef32139d23ea
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

[Cl:30][C:31]([C:32]([Cl:33])=[O:34])=[O:35].[Cl:42][CH2:43][Cl:44].[NH3:41].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([CH:15]=[CH:16][C:17](=[O:18])[OH:19])[cH:13][cH:14]2)=[C:20]2[CH2:21][C:22]([CH3:28])([CH3:29])[CH2:23][C:24]([CH3:26])([CH3:27])[CH2:25]2)[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([CH:15]=[CH:16][C:17](=[O:18])[NH2:38])[cH:13][cH:14]2)=[C:20]2[CH2:21][C:22]([CH3:28])([CH3:29])[CH2:23][C:24]([CH3:26])([CH3:27])[CH2:25]2)[cH:6][cH:7]1