HRID94392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5928

N-Benzylnormechlorethamine

C11H15Cl2N

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID75959

Pyridine-2-acetonitrile

C7H6N2

PRODUCTS

生成物

HCID22725232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a54ddc1486454fe2a676fc7c8f7e72c8
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

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