HRID1232284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID69465

2,5-Dimethyl-3-furoic acid

C7H8O3

HCID2734804

2,5-Dimethylfuran-3-carbonyl chloride

C7H7ClO2

HCID11426997

未命名化合物

HCID15082556

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cc(C)oc4C)cc3F)c2cc1OC

HCID21890065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18d621b1edd445eb8eeb46722a3da506
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:15][c:16]1[o:17][c:18]([CH3:19])[cH:20][c:21]1[C:22]([Cl:23])=[O:24].[CH3:25][c:26]1[o:27][c:28]([CH3:36])[cH:29][c:30]1[C:31](=[O:32])[N:33]=[C:34]=[S:35].[CH3:37][O:38][c:39]1[cH:40][c:41]2[c:42]([O:51][c:52]3[c:53]([F:59])[cH:54][c:55]([NH2:56])[cH:57][cH:58]3)[cH:43][cH:44][n:45][c:46]2[cH:47][c:48]1[O:49][CH3:50].[CH3:5][c:6]1[o:7][c:8]([CH3:9])[cH:10][c:11]1[C:12]([OH:13])=[O:14].[CH3:60][CH2:61][OH:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:25][c:26]1[o:27][c:28]([CH3:36])[cH:29][c:30]1[C:31](=[O:32])[NH:33][C:34](=[S:35])[NH:56][c:55]1[cH:54][c:53]([F:59])[c:52]([O:51][c:42]2[c:41]3[cH:40][c:39]([O:38][CH3:37])[c:48]([O:49][CH3:50])[cH:47][c:46]3[n:45][cH:44][cH:43]2)[cH:58][cH:57]1