HRID1149597

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

HCID10536390

4-(Cyclopropylamino)-2-(methylthio)-5-pyrimidinecarboxaldehyde

C9H11N3OS

PRODUCTS

生成物

结构：COc1cc(OC)c(F)c(N=Cc2cnc(SC)nc2NC2CC2)c1F

HCID18444840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d003f9aee2a9489798ad9ccb77361959
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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