HRID1561220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1csc(CNC(=O)C(C)NC(=O)OC(C)(C)C)c1

HCID69094614

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：Cc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1csc(CNC(=O)C(C)N)c1

HCID69299509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8340dcab7ffe4ee99f978b35d7c3bfd7
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

[CH3:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]2[cH:9][c:10]([C:32]([F:33])([F:34])[F:35])[n:11][n:12]2-[c:13]2[cH:14][c:15]([CH2:18][NH:19][C:20]([CH:21]([CH3:22])[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[s:16][cH:17]2)[cH:36][cH:37][cH:38][cH:39]1.[CH3:50][OH:51].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46]>>[CH3:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]2[cH:9][c:10]([C:32]([F:33])([F:34])[F:35])[n:11][n:12]2-[c:13]2[cH:14][c:15]([CH2:18][NH:19][C:20]([CH:21]([CH3:22])[NH2:23])=[O:31])[s:16][cH:17]2)[cH:36][cH:37][cH:38][cH:39]1.[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46]