HRID96315

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

HCID7902

Dimethylaminoethanol

C4H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID86672328

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C)CCOc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1

HCID68805377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cc499d17f444f38935d3c09987ccb3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:3][N:4]([CH3:5])[CH2:6][CH2:7][OH:8].[Cl:9][c:10]1[cH:11][c:12](-[n:16]2[nH:17][cH:18][c:19](-[c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)[c:20]2=[O:21])[n:13][cH:14][n:15]1.[ClH:28].[H-:1].[I-:34].[Na+:2].[OH2:52]>>[CH3:3][N:4]([CH3:5])[CH2:6][CH2:7][O:8][c:10]1[cH:11][c:12](-[n:16]2[nH:17][cH:18][c:19](-[c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)[c:20]2=[O:21])[n:13][cH:14][n:15]1.[ClH:9]