HRID95163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID256593

Malonanilic acid

C9H9NO3

结构：Cn1ccnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1

HCID59424480

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1

HCID56953450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3528bbdec3b644e3a3228e94c2ea0bd2
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

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