HRID296204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID7520

Benzene, (methylthio)-

C7H8S

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(F)c3)c2cc1NC(=O)OCc1ccccc1

HCID58931295

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(F)c3)c2cc1NC(C)=O

HCID58931413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10194f20cbc547459ff9abbe73c0efbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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