HRID126502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5437

Thiazolidinedione

C3H3NO2S

HCID637969

未命名化合物

结构：CC(C)(C)OC(=O)Nc1ccc(CCOc2ccc(C=O)cc2)cc1

HCID21704970

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(CCOc2ccc(C=C3SC(=O)NC3=O)cc2)cc1

HCID54100550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d26f1a5fa7f459fa90eca53cd97b7df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:33]([O-:34])(=[O:35])[CH3:36].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:14][cH:15]2)[cH:24][cH:25]1.[NH2+:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43].[S:26]1[C:27](=[O:32])[NH:28][C:29](=[O:31])[CH2:30]1>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:14][cH:15]2)[cH:24][cH:25]1)=[C:30]1[S:26][C:27](=[O:32])[NH:28][C:29]1=[O:31]