HRID1224013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3144

4,7,10,13,16,19-Docosahexaenoic acid

C22H32O2

HCID70966

Vanillylamine

C8H11NO2

2 次

PRODUCTS

生成物

结构：CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCc1ccc(O)c(OC)c1

HCID67550169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09a08935583e46d88aeecb127d8a1e0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:12]([CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH:18]=[CH:19][CH2:20][CH:21]=[CH:22][CH2:23][CH:24]=[CH:25][CH2:26][CH:27]=[CH:28][CH2:29][CH:30]=[CH:31][CH2:32][CH3:33])(=[O:34])[OH:35].[CH2:1]([c:2]1[cH:3][c:4]([O:5][CH3:6])[c:7]([OH:8])[cH:9][cH:10]1)[NH2:11].[CH2:37]([NH2:38])[c:39]1[cH:40][cH:41][c:42]([OH:43])[c:44]([O:45][CH3:46])[cH:47]1.[ClH:36].[Na+:49].[OH-:48].[OH2:50]>>[CH2:1]([c:2]1[cH:3][c:4]([O:5][CH3:6])[c:7]([OH:8])[cH:9][cH:10]1)[NH:11][C:12]([CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH:18]=[CH:19][CH2:20][CH:21]=[CH:22][CH2:23][CH:24]=[CH:25][CH2:26][CH:27]=[CH:28][CH2:29][CH:30]=[CH:31][CH2:32][CH3:33])=[O:34]