HRID115248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID2737605

3-Methylthiophene-2-carbonyl chloride

C6H5ClOS

结构：CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C34OC4CC2(C)C1(O)C(=O)O

HCID178421782

未命名化合物

PRODUCTS

生成物

结构：Cc1ccsc1C(=O)OC1(C(=O)O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C34OC4CC21C

HCID178429654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60385ffbcfc84abdbad892e006d25789
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

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