HRID1561043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

反应SMILES：Cc1cccc2nc(C(C)Nc3ncnc4c3ncn4COCC[Si](C)(C)C)n(-c3cccc(C#N)c3)c(=O)c12

HCID66663896

未命名化合物

反应SMILES：Cc1cccc2nc(C(C)Nc3ncnc4[nH]cnc34)n(-c3cccc(O)c3)c(=O)c12

HCID178423955

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cccc2nc(C(C)Nc3ncnc4[nH]cnc34)n(-c3cccc(C#N)c3)c(=O)c12

HCID178423953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-992ba034a3734565946112ef7258fafd
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

[CH3:1][c:2]1[c:3]2[c:4](=[O:40])[n:5](-[c:32]3[cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39]3)[c:6]([CH:12]([CH3:13])[NH:14][c:15]3[c:16]4[n:17][cH:18][n:19]([CH2:24][O:25][CH2:26][CH2:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[c:20]4[n:21][cH:22][n:23]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1.[CH3:72][OH:73].[OH:41][c:42]1[cH:43][c:44](-[n:45]2[c:46](=[O:47])[c:48]3[c:49]([cH:50][cH:51][cH:52][c:53]3[CH3:54])[n:55][c:56]2[CH:57]([NH:58][c:59]2[n:60][cH:61][n:62][c:63]3[c:64]2[n:65][cH:66][nH:67]3)[CH3:68])[cH:69][cH:70][cH:71]1>>[CH3:1][c:2]1[c:3]2[c:4](=[O:40])[n:5](-[c:32]3[cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39]3)[c:6]([CH:12]([CH3:13])[NH:14][c:15]3[c:16]4[n:17][cH:18][nH:19][c:20]4[n:21][cH:22][n:23]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1