HRID827622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID5437

Thiazolidinedione

C3H3NO2S

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(CBr)c2sccc12

HCID11441750

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12

HCID9825701

Edaglitazone

C24H20N2O4S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d4ed9593f54dbaa0709fe5fc3a786b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:36][CH2:37][c:38]1[cH:39][cH:40][c:41]([O:47][CH2:48][CH2:49][c:50]2[n:51][c:52](-[c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[o:53][c:54]2[CH3:55])[c:42]2[c:43]1[s:44][cH:45][cH:46]2.[CH2:16]1[O:17][CH2:18][CH2:19][CH2:20]1.[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[CH3:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH:8]([N-:9][CH:10]([CH3:11])[CH3:12])([CH3:13])[CH3:14].[ClH:62].[Li+:15].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:68].[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[CH2:5]1>>[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[CH:5]1[CH2:37][c:38]1[cH:39][cH:40][c:41]([O:47][CH2:48][CH2:49][c:50]2[n:51][c:52](-[c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[o:53][c:54]2[CH3:55])[c:42]2[c:43]1[s:44][cH:45][cH:46]2