HRID150654

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

HCID14273

2-Pyridinecarboxaldehyde

C6H5NO

HCID425305

STK256619

C13H16NOS+

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

HCID59331258

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1)c1ccccn1

HCID59331378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ff385b967624c88a3c5e06956e30ebf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:44]([n+:45]1[c:46]([CH3:47])[c:48]([CH2:49][CH2:50][OH:51])[s:52][cH:53]1)[c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][CH2:41][OH:42].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH:15]=[CH2:16])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl-:43].[n:25]1[c:26]([CH:31]=[O:32])[cH:27][cH:28][cH:29][cH:30]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:31]([c:26]3[n:25][cH:30][cH:29][cH:28][cH:27]3)=[O:32])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1