HRID672665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

结构：N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl

HCID15528298

未命名化合物

PRODUCTS

生成物

结构：CNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl

HCID10126134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f6ff75295064555b231c518c48ff462
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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