HRID191794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5437

Thiazolidinedione

C3H3NO2S

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID18760889

4-(2,2-Diethoxyethoxy)benzaldehyde

C13H18O4

PRODUCTS

生成物

HCID53707664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ced054a53b043a0b2d9af198bfd9394
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

[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14]1)[O:15][CH2:16][CH3:17].[CH2:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[OH2:53].[OH:25][C:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33].[S:18]1[C:19](=[O:24])[NH:20][C:21](=[O:23])[CH2:22]1>>[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[C:22]2[S:18][C:19](=[O:24])[NH:20][C:21]2=[O:23])[cH:13][cH:14]1)[O:15][CH2:16][CH3:17]