HRID2130260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID178467179

未命名化合物

结构：CCOC1CN(C(=O)OCc2ccccc2)CC1Nc1nc(CC)c(-c2ccc(OC)cc2C)nc1CC

HCID178467210

未命名化合物

PRODUCTS

生成物

结构：CCOC1CNCC1Nc1nc(CC)c(-c2ccc(OC)cc2C)nc1CC

HCID178467177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d92be7f58ac1425581811baef92baeda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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