HRID103481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID20509

Cyclohexaneethanamine (9CI)

C8H17N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81531

Diisopropylethylamine

C8H19N

HCID2821350

2-{[2-(Benzenesulfonyl)ethyl]sulfanyl}pyridine-3-carboxylic acid

C14H13NO4S2

PRODUCTS

生成物

结构：O=C(NCCC1CCCCC1)c1cccnc1SCCS(=O)(=O)c1ccccc1

HCID25221520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e681ad504db24b7a818487ce90fb6161
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

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