HRID834662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID72822010

未命名化合物

结构：CCOC1CNCC1Nc1nc(CC)c(-c2cnc(N(C)C)cc2C)nc1CC

HCID178467181

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2ncccn2)CC1Nc1nc(CC)c(-c2cnc(N(C)C)cc2C)nc1CC

HCID72812813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11a848025edd4357ae1c9c14bb7f903e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([O:2][CH:3]1[CH2:4][N:5]([c:9]2[n:10][cH:11][cH:12][cH:13][n:14]2)[CH2:6][CH:7]1[NH:8][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].[CH3:35][N:36]([c:37]1[cH:38][c:39]([CH3:62])[c:40](-[c:43]2[n:44][c:45]([CH2:60][CH3:61])[c:46]([NH:51][CH:52]3[CH2:53][NH:54][CH2:55][CH:56]3[O:57][CH2:58][CH3:59])[n:47][c:48]2[CH2:49][CH3:50])[cH:41][n:42]1)[CH3:63]>>[c:9]1([N:54]2[CH2:53][CH:52]([NH:51][c:46]3[c:45]([CH2:60][CH3:61])[n:44][c:43](-[c:40]4[c:39]([CH3:62])[cH:38][c:37]([N:36]([CH3:35])[CH3:63])[n:42][cH:41]4)[c:48]([CH2:49][CH3:50])[n:47]3)[CH:56]([O:57][CH2:58][CH3:59])[CH2:55]2)[n:10][cH:11][cH:12][cH:13][n:14]1