HRID111693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7973

2-Bromopyridine

C5H4BrN

结构：CCOC1CNCC1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC

HCID22147293

未命名化合物

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

HCID72822010

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC

HCID77650680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80f90ec01dd2425499a996ddca0f6512
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

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