HRID2154072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7519

Anisole

C7H8O

HCID62406

未命名化合物

结构：CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)C(=O)NCCc1ccccc1

HCID19695810

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)C(=O)C(F)(F)C(=O)NCCc1ccccc1

HCID19695845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04dde0133229426d9ed12a7c5da236d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([O:2][C:3](=[O:4])[NH:11][c:12]1[c:13](=[O:48])[n:14]([CH2:24][C:25](=[O:26])[NH:27][CH:28]([C:29]([C:30]([C:31]([NH:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])([F:42])[F:43])=[O:44])[CH:45]([CH3:46])[CH3:47])[c:15](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:60][O:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:57][CH2:58][Cl:59].[OH:49][S:50]([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56]>>[NH2:11][c:12]1[c:13](=[O:48])[n:14]([CH2:24][C:25](=[O:26])[NH:27][CH:28]([C:29]([C:30]([C:31]([NH:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])([F:42])[F:43])=[O:44])[CH:45]([CH3:46])[CH3:47])[c:15](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1