HRID672224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6558

Isobutylamine

C4H11N

结构：O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

HCID68068

Tetraphenyl-2,4-cyclopentadien-1-one

C29H20O

PRODUCTS

生成物

结构：CC(C)CN=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

HCID22247244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c173f3befe24fbfa9580e4a4001a93d
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

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