HRID295690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6343

Ethanethiol

C2H6S

HCID123138

Ethyl radical

C2H5

HCID5360545

Sodium

结构：CCCCCCCN(CCc1ccc(CC(O)C(=O)OCC)cc1)C(=O)OC(C)(C)C

HCID69883772

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1ccc(CC(SCC)C(=O)OCC)cc1)C(=O)OC(C)(C)C

HCID69884404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-515b18ef3e3d485a87989f2c2e79adf0
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

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