HRID311024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)c(OC)cc3C)cc12

HCID59275604

未命名化合物

HCID67292523

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncc(C)cn5)CC4)c(OC)cc3C)cc12

HCID53468028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70a8d20427ba4d81976be5625a3bf3cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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