HRID1115907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID7503

Benzyl chloride

C7H7Cl

HCID8071

未命名化合物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID61234

3-(Hydroxymethyl)pentane-2,4-diol

C6H14O3

HCID105282

Benzoyl chloride, 4-(hexadecylamino)-

C23H38ClNO

HCID166653

Hydride

H-

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)OC(C)C(CO)C(C)O)cc1

HCID21326940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-612c879907a04ae1a8feb4bc43157642
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

[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[NH:39][c:40]1[cH:41][cH:42][c:43]([C:44](=[O:45])[Cl:46])[cH:47][cH:48]1.[CH2:49]([CH2:50][O:51][CH3:52])[O:53][CH3:54].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[ClH:22].[H-:10].[H:12][H:13].[Na+:11].[OH2:64].[OH:1][CH:2]([CH3:3])[CH:4]([CH:5]([CH3:6])[OH:7])[CH2:8][OH:9]>>[O:1]([CH:2]([CH3:3])[CH:4]([CH:5]([CH3:6])[OH:7])[CH2:8][OH:9])[C:44]([c:43]1[cH:42][cH:41][c:40]([NH:39][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:48][cH:47]1)=[O:45]