HRID1235022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CNC1CCC2(C)C(=CCC3C2CCC24CN(C)C(C)C2CCC34)C1

HCID551434

未命名化合物

PRODUCTS

生成物

结构：CC1C2CCC3C4CC=C5CC(N(C)c6ccc(C#N)cc6)CCC5(C)C4CCC32CN1C

HCID67423964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42c78fc7cca1416fb7dbb1e6f0c46397
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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