HRID176217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

结构：CCOC1CN(c2nccs2)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC

HCID73100485

未命名化合物

结构：CCOC1CNCC1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC

HCID178467178

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2ncccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC

HCID72972474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f935b67563384e2e95c7780c24a336a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:33][c:34]1[n:35][cH:36][cH:37][cH:38][n:39]1.[CH2:40]([CH3:41])[O:42][CH:43]1[CH:44]([NH:48][c:49]2[n:50][c:51]([CH2:69][CH3:70])[c:52](-[c:57]3[c:58]([C:65]([F:66])([F:67])[F:68])[n:59][c:60]([O:63][CH3:64])[cH:61][cH:62]3)[n:53][c:54]2[CH2:55][CH3:56])[CH2:45][NH:46][CH2:47]1.[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([CH2:12][CH3:13])[c:14]([NH:15][CH:16]2[CH:17]([O:18][CH2:19][CH3:20])[CH2:21][N:22]([c:23]3[s:24][cH:25][cH:26][n:27]3)[CH2:28]2)[n:29][c:30]1[CH2:31][CH3:32]>>[c:34]1([N:46]2[CH2:45][CH:44]([NH:48][c:49]3[n:50][c:51]([CH2:69][CH3:70])[c:52](-[c:57]4[c:58]([C:65]([F:66])([F:67])[F:68])[n:59][c:60]([O:63][CH3:64])[cH:61][cH:62]4)[n:53][c:54]3[CH2:55][CH3:56])[CH:43]([O:42][CH2:40][CH3:41])[CH2:47]2)[n:35][cH:36][cH:37][cH:38][n:39]1