HRID158776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID5287830

Purine, 6-bromo-

C5H3BrN4

HCID57707903

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2cc(CNc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)nc12

HCID178488602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f317804f9224e60b3995551dc87d9a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][cH:9][n:10]1.[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:11][c:12]1[cH:13][c:14](-[c:18]2[n:19][c:20]3[c:21]([O:30][CH3:31])[cH:22][cH:23][cH:24][c:25]3[cH:26][c:27]2[CH2:28][NH2:29])[cH:15][cH:16][cH:17]1>>[c:2]1([NH:29][CH2:28][c:27]2[c:18](-[c:14]3[cH:13][c:12]([F:11])[cH:17][cH:16][cH:15]3)[n:19][c:20]3[c:21]([O:30][CH3:31])[cH:22][cH:23][cH:24][c:25]3[cH:26]2)[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][cH:9][n:10]1