HRID149420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID37524

2,2,6,6-Tetramethylpiperidin-4-amine

C9H20N2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25252905

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID44548615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a82f3dcfeb4e4c0c97d70a6cd565327d
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

[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:42][C:43]1([CH3:52])[NH:44][C:45]([CH3:50])([CH3:51])[CH2:46][CH:47]([NH2:49])[CH2:48]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:58]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:49][CH:47]5[CH2:46][C:45]([CH3:50])([CH3:51])[NH:44][C:43]([CH3:42])([CH3:52])[CH2:48]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1