HRID301477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID579784

4-Mercaptohydrocinnamic Acid

C9H10O2S

HCID10946940

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1COc1ccc(CSc2ccc(CCC(=O)O)cc2)cc1

HCID68884559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a4666600d184b0da1a5261ba96bea87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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