HRID194417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID66724

[1,1'-Biphenyl]-4-carboxylic acid

C13H10O2

HCID84151

[1,1'-Biphenyl]-4-carbonyl chloride

C13H9ClO

HCID11426997

未命名化合物

HCID12472211

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3F)c2cc1OC

HCID21891024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24c8547931254f79886eddee7dd6f573
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][O:36][c:37]1[cH:38][c:39]2[c:40]([O:49][c:50]3[c:51]([F:57])[cH:52][c:53]([NH2:54])[cH:55][cH:56]3)[cH:41][cH:42][n:43][c:44]2[cH:45][c:46]1[O:47][CH3:48].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH3:82][CH2:83][OH:84].[S:1]([Cl:2])([Cl:3])=[O:4].[c:20]1(-[c:21]2[cH:22][cH:23][c:24]([C:25]([Cl:26])=[O:27])[cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:58]1(-[c:64]2[cH:65][cH:66][c:67]([C:70](=[O:71])[N:72]=[C:73]=[S:74])[cH:68][cH:69]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:5]1(-[c:6]2[cH:7][cH:8][c:9]([C:10]([OH:11])=[O:12])[cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:35][O:36][c:37]1[cH:38][c:39]2[c:40]([O:49][c:50]3[c:51]([F:57])[cH:52][c:53]([NH:54][C:73]([NH:72][C:70]([c:67]4[cH:66][cH:65][c:64](-[c:58]5[cH:59][cH:60][cH:61][cH:62][cH:63]5)[cH:69][cH:68]4)=[O:71])=[S:74])[cH:55][cH:56]3)[cH:41][cH:42][n:43][c:44]2[cH:45][c:46]1[O:47][CH3:48]