HRID282580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID232619

1-[benzyl(methyl)amino]propan-2-ol

C11H17NO

结构：CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(Cl)c23)cc1

HCID58016897

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)CN(C)Cc4ccccc4)c23)cc1

HCID178435666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e73dd8611f324739bd1480c58eb1bd8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]([CH2:11][CH:12]([CH3:13])[OH:14])[CH3:15].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl:16][c:17]1[c:18]2[c:19]([n:20][cH:21][n:22]1)[o:23][c:24](-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:25]2-[c:26]1[cH:27][cH:28][c:29]([CH2:32][CH3:33])[cH:30][cH:31]1.[H-:1].[I-:46].[Na+:2].[OH2:40]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]([CH2:11][CH:12]([CH3:13])[O:14][c:17]1[c:18]2[c:19]([n:20][cH:21][n:22]1)[o:23][c:24](-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:25]2-[c:26]1[cH:27][cH:28][c:29]([CH2:32][CH3:33])[cH:30][cH:31]1)[CH3:15]