HRID157321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2ccccc21

HCID18449363

未命名化合物

HCID57974077

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2ccccc21)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

HCID59279590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41a35567477e426bbe5d24753abb81fa
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

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