HRID1565802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

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

HCID72822010

未命名化合物

结构：CCOC1CNCC1Nc1nc(CC)c(-c2ccc(OC)nc2OC)nc1CC

HCID178467180

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2ncccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2OC)nc1CC

HCID72748654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74a67b11c6a642b1b62194b788820d64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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