HRID144232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID700

Ethanolamine

C2H7NO

结构：CCOC(=O)c1cncc2c(COc3cccc(NC(=O)c4ccc(F)cc4)c3)csc12

HCID24800098

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(OCc2csc3c(C(=O)NCCO)cncc23)c1)c1ccc(F)cc1

HCID24800099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1452dc87c42143f49d0cbc68f4955479
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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