HRID2337762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：Nc1ccc2c(c1)ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID23155043

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Nc1ccc2c(c1)ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID59725929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05a9babae0034269988c715e8a39a292
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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