HRID1218572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

结构：C=C(C)n1c(=O)n(CCCN2CCC(Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c2ccccc21

HCID20385627

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1CCCN1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1

HCID20385596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29bf24b12045443eabb0957be0d8dea9
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

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