HRID86142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID7509

Benzenemethanethiol

C7H8S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：C=C(CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

HCID10947302

Pentanedioic acid, 2-methylene-, bis(phenylmethyl) ester

C20H20O4

PRODUCTS

生成物

结构：O=C(CCC(CS(=O)Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

HCID22460508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00900366764d4df58829d076a66a1bf8
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

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