HRID200966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID85588

2-Fluorophenyl isocyanate

C7H4FNO

结构：COc1ccc(C(=O)Nc2cnccc2NC(=O)c2ccc(C(C)(C)C)cc2OC2CCNCC2)cc1

HCID11576987

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cnccc2NC(=O)c2ccc(C(C)(C)C)cc2OC2CCN(C(=O)Nc3ccccc3F)CC2)cc1

HCID11614350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d2e01d4260e44b6bf87e1dfbb3001a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:18][C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)=[O:28])[cH:14][n:15][cH:16][cH:17]2)[cH:29][cH:30]1.[CH3:52][OH:53].[CH:38]([Cl:39])([Cl:40])[Cl:41].[F:42][c:43]1[c:44]([N:49]=[C:50]=[O:51])[cH:45][cH:46][cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:31][CH:32]2[CH2:33][CH2:34][N:35]([C:50]([NH:49][c:44]3[c:43]([F:42])[cH:48][cH:47][cH:46][cH:45]3)=[O:51])[CH2:36][CH2:37]2)[c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:18][C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)=[O:28])[cH:14][n:15][cH:16][cH:17]2)[cH:29][cH:30]1