HRID1567443

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)ccc3C)cc12

HCID59275653

未命名化合物

HCID67292323

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5nccc(C)n5)CC4)ccc3C)cc12

HCID59505164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7116f1afa7f4603b8751288e2970cb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:31][c:32]1[n:33][c:34]([C:38]2([NH2:41])[CH2:39][CH2:40]2)[n:35][cH:36][cH:37]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[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[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[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[cH:22][c:23]([C:24](=[O:25])[NH:41][C:38]4([c:34]5[n:33][c:32]([CH3:31])[cH:37][cH:36][n:35]5)[CH2:39][CH2:40]4)[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1