HRID1228428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID13034545

1-Phenylpropane-1,3-diamine

C9H14N2

结构：Cn1c(Cl)nc(-c2ccncc2)c(-c2cccc(C(F)(F)F)c2)c1=O

HCID18767885

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cn1c(NCCC(N)c2ccccc2)nc(-c2ccncc2)c(-c2cccc(C(F)(F)F)c2)c1=O

HCID18767834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5597282619954f18a5d0a0da8ac794a4
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

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