HRID1235156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCc3cc(-c4ccc(F)cc4)no3)c2[N+](=O)[O-])cc1

HCID69450751

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCc3cc(-c4ccc(F)cc4)no3)c2N)cc1

HCID69453189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-415211ea2592482d8d1fc959dc3fa929
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

[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:52][CH2:53][OH:54].[F:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][o:17][c:18]([CH2:20][NH:21][c:22]3[c:23]([N+:49]([O-:50])=[O:51])[c:24]([N:30]([CH2:31][c:32]4[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]4)[CH2:40][c:41]4[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]4)[n:25][c:26]([CH3:29])[c:27]3[CH3:28])[cH:19]2)[cH:13][cH:14]1>>[F:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][o:17][c:18]([CH2:20][NH:21][c:22]3[c:23]([NH2:49])[c:24]([N:30]([CH2:31][c:32]4[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]4)[CH2:40][c:41]4[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]4)[n:25][c:26]([CH3:29])[c:27]3[CH3:28])[cH:19]2)[cH:13][cH:14]1