HRID1145316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID95337

2-Hexyl-1-decanol

C16H34O

HCID18427123

Myristoyl methyl beta-alanine

C18H35NO3

PRODUCTS

生成物

结构：CCCCCCCCCCCCCC(=O)N(C)CCC(=O)OCC(CCCCCC)CCCCCCCC

HCID18427131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4acba1fab77d44c1a51f4d0787afa393
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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