HRID1238727

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

HCID166653

Hydride

H-

结构：Cc1c(C)c2c(c(C)c1O)C(c1ccc(C(C)C)cc1)C1(CCN(C)CC1)O2

HCID22238259

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1OCc1ccncc1)C(c1ccc(C(C)C)cc1)C1(CCN(C)CC1)O2

HCID22238264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33e8f855ea5344cdaf10e739f81440aa
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

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