HRID2335802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID21149

2-Phenylbutane-1,2-diamine

C10H16N2

HCID609693

methyl 2-phenylquinoline-4-carboxylate

C17H13NO2

HCID16682925

Aluminum, trimethyl-

C3H9Al

PRODUCTS

生成物

结构：CCC1(c2ccccc2)CNC(c2cc(-c3ccccc3)nc3ccccc23)=N1

HCID178435244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec8e9e55f3c943e0a48cd4eaf8c5e5dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:47]([Cl:48])[Cl:49].[CH3:13][Al:14]([CH3:15])[CH3:16].[CH3:18][O:19][C:20](=[O:21])[c:22]1[cH:23][c:24](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][OH:46].[CH4:17].[OH2:50].[c:1]1([C:7]([CH2:8][NH2:9])([CH2:10][CH3:11])[NH2:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([CH2:10][CH3:11])[CH2:8][NH:9][C:20]([c:22]3[cH:23][c:24](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)=[N:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1