HRID108188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：COc1ccc(Cn2cnc3c(-c4cccnc4F)ncnc32)cc1

HCID59627379

未命名化合物

HCID68725343

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cnc3c(-c4cccnc4Nc4c(C)ccc5c(Nc6ccc(C#N)cc6)ncnc45)ncnc32)cc1

HCID68725159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37dcc415929f477a91cc94e085c12aab
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

[C:57]([OH:58])(=[O:59])[CH3:60].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9]3[n:10][cH:11][n:12][c:13](-[c:17]4[c:18]([F:23])[n:19][cH:20][cH:21][cH:22]4)[c:14]3[n:15][cH:16]2)[cH:24][cH:25]1.[CH3:47][Si:48]([N-:49][Si:50]([CH3:51])([CH3:52])[CH3:53])([CH3:54])[CH3:55].[CH3:66][OH:67].[Li+:56].[NH2:26][c:27]1[c:28]([CH3:46])[cH:29][cH:30][c:31]2[c:32]([NH:37][c:38]3[cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44][cH:45]3)[n:33][cH:34][n:35][c:36]12>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9]3[n:10][cH:11][n:12][c:13](-[c:17]4[c:18]([NH:26][c:27]5[c:28]([CH3:46])[cH:29][cH:30][c:31]6[c:32]([NH:37][c:38]7[cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44][cH:45]7)[n:33][cH:34][n:35][c:36]56)[n:19][cH:20][cH:21][cH:22]4)[c:14]3[n:15][cH:16]2)[cH:24][cH:25]1