HRID292095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID6380

Tetramethylammonium ion(1+)

C4H12N+

HCID6422

未命名化合物

HCID24955

1H-Imidazole-2-carboxaldehyde

C4H4N2O

HCID2724942

未命名化合物

反应SMILES：c1ccc2c(c1)Oc1cc(-c3nnn[nH]3)ccc1N2C1CCNCC1

HCID178419906

未命名化合物

PRODUCTS

产物

反应SMILES：c1ccc2c(c1)Oc1cc(-c3nnn[nH]3)ccc1N2C1CCN(Cc2ncc[nH]2)CC1

HCID178419907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e3938d45605b4c9f9c4823d5a88199a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:53][N+:54]([CH3:55])([CH3:56])[CH3:57].[Cl:58][CH:59]([Cl:60])[CH3:61].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH:8]1[CH2:9][CH2:10][CH:11]([N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[O:21][c:22]3[cH:23][c:24](-[c:28]4[n:29][n:30][n:31][nH:32]4)[cH:25][cH:26][c:27]32)[CH2:12][CH2:13]1.[nH:33]1[c:34]([CH:38]=[O:39])[n:35][cH:36][cH:37]1>>[N:8]1([CH2:38][c:34]2[nH:33][cH:37][cH:36][n:35]2)[CH2:9][CH2:10][CH:11]([N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[O:21][c:22]3[cH:23][c:24](-[c:28]4[n:29][n:30][n:31][nH:32]4)[cH:25][cH:26][c:27]32)[CH2:12][CH2:13]1