HRID698876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：O=C1CC(c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O

HCID68708

Floxacrine

C20H13ClF3NO3

HCID81349

4-Methyl-1-piperazinamine

C5H13N3

PRODUCTS

生成物

结构：CN1CCN(N=C2CC(c3ccc(C(F)(F)F)cc3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1

HCID3086317

7-Chloro-10-hydroxy-1-[(4-methylpiperazin-1-yl)imino]-3-[4-(trifluoromethyl)phenyl]-1,3,4,10-tetrahydroacridin-9(2H)-one

C25H24ClF3N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7f167c4e5bc43fcadf9b3b256c6af55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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