HRID696248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8140

1-Bromooctane

C8H17Br

HCID303705

1,3-Dithiane-2-carboxylic acid

C5H8O2S2

HCID3280088

未命名化合物

HCID10397660

未命名化合物

HCID14995436

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC1(C(=O)Nc2c(SC)ccc3ncccc23)SCCCS1

HCID14995437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50b701fbe24d4a2e83e3df3ddb9dba90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[C:22]1([C:28](=[O:29])[OH:30])[S:23][CH2:24][CH2:25][CH2:26][S:27]1.[CH2:50]([Br:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[CH3:40][Si:41]([CH3:42])([CH3:43])[N-:44][Si:45]([CH3:46])([CH3:47])[CH3:48].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[cH:9][cH:10][c:11]1[S:12][CH3:13].[Na+:49].[S:31]1[CH2:32][CH2:33][CH2:34][S:35][CH:36]1[C:37]([OH:38])=[O:39]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[cH:9][cH:10][c:11]1[S:12][CH3:13])[C:28]([C:22]1([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[S:23][CH2:24][CH2:25][CH2:26][S:27]1)=[O:29]