HRID2141774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID965

Octadec-9-enoic acid

C18H34O2

HCID1118

Sulfuric acid

H2O4S

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID248575

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC=CCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC

HCID74945544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ad0d46595874f21837b514835841f3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:20]=[CH:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29]([OH:30])=[O:31].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[OH:44][CH2:45][CH:46]([NH2:47])[CH:48]([OH:49])[CH:50]([OH:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65].[S:39]([OH:40])([OH:41])(=[O:42])=[O:43].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([Cl:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH3:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:20]=[CH:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29](=[O:30])[NH:47][CH:46]([CH2:45][OH:44])[CH:48]([OH:49])[CH:50]([OH:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65]