HRID1118038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3390679

2-Fluoro-3-methoxybenzoic acid

C8H7FO3

HCID178508056

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F

HCID178490492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db274d1a6ce3466eb4178f067cc66342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:43][S:44]([CH3:45])=[O:46].[F:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]2[n:24][nH:25][cH:26][c:27]2[NH2:28])[cH:18][cH:19]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[O:11][CH3:12].[OH2:47].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:28][c:27]2[c:23]([C:21]([NH:20][c:17]3[cH:16][cH:15][c:14]([F:13])[cH:19][cH:18]3)=[O:22])[n:24][nH:25][cH:26]2)[cH:7][cH:8][cH:9][c:10]1[O:11][CH3:12]