HRID2331116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID10261892

2,6-DIFLUORO-3,5-DIMETHOXYANILINE

C8H9F2NO2

HCID10799896

4-(Cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

C11H15N3OS

PRODUCTS

生成物

结构：COc1cc(OC)c(F)c(N=Cc2cnc(SC)nc2NC2CCCC2)c1F

HCID18444836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adf86d30bc9b401e8013bf87ff8588f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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