HRID938813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID6597

Dichloroacetic acid

C2H2Cl2O2

HCID8857

Ethyl acetate

C4H8O2

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

HCID19787883

未命名化合物

PRODUCTS

生成物

HCID10098504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-930ebdeb10f74f9fa3d8aa36540c8e42
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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