HRID309177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID13489689

未命名化合物

HCID49841002

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)C)no4)c3)c2cc1OC

HCID44243435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fae7ed263adb401ebfcab80c547f0fba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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