HRID679684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7312

Diisopropylamine, N-(2-chloroethyl)-

C8H18ClN

HCID2826723

azanide

H2N-

HCID5360545

Sodium

结构：CC(C)N(CCC(C#N)c1ccc(-c2ccccc2)cc1)C(C)C

HCID14569341

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CCC(C#N)(CCN(C(C)C)C(C)C)c1ccc(-c2ccccc2)cc1)C(C)C

HCID23347203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fca730c30f384d9087f7f0e06bed81ff
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

[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:34][CH2:35][CH2:36][N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43].[NH2-:33].[Na:32].[OH2:44].[c:1]1(-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][c:4]([CH:7]([C:8]#[N:9])[CH2:10][CH2:11][N:12]([CH:13]([CH3:14])[CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:5][cH:6]1>>[c:1]1(-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][c:4]([C:7]([C:8]#[N:9])([CH2:10][CH2:11][N:12]([CH:13]([CH3:14])[CH3:15])[CH:16]([CH3:17])[CH3:18])[CH2:35][CH2:36][N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[cH:5][cH:6]1