HRID669617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6328

Methyl iodide

CH3I

HCID124611

Tributylbenzylammonium

C19H34N+

HCID59598603

未命名化合物

PRODUCTS

生成物

HCID59598742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74d865a937624af3b007bf1619609af2
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

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