HRID103248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3697076

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C14H23BO4

HCID68003406

未命名化合物

结构：O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CNC1

HCID68003594

未命名化合物

HCID68003905

4-Bromo-N-methyl-3-pyridinamine

C6H7BrN2

PRODUCTS

生成物

结构：CNc1cnccc1C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1

HCID68004048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b4c1fd0d6414471a11b6c4b1c20d1a4
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

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