HRID1560175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID425305

STK256619

C13H16NOS+

HCID2734903

2-Thiazolecarboxaldehyde

C4H3NOS

结构：C=CC(=O)C(=CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID68433612

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC(=O)c1nccs1)C(=CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID68433013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69cab97106884942832b99db29873790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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