HRID99903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCOC(=O)Nc1cc(-c2nc(C(C)C)sc2-c2ccnc(Cl)n2)ccc1F

HCID53418796

Prop-2-en-1-yl {5-[5-(2-chloropyrimidin-4-yl)-2-(propan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamate

C20H18ClFN4O2S

结构：CC(C)c1nc(-c2cccc(N)c2)c(-c2ccnc(Cl)n2)s1

HCID57990046

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(-c2ccc(F)c(N)c2)c(-c2ccnc(Cl)n2)s1

HCID57989785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-670d12bf60a846808d2a26e2a9e27034
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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