HRID2152247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

反应SMILES：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)ccc3C)c(F)c12

HCID59275680

未命名化合物

HCID67291362

未命名化合物

PRODUCTS

产物

反应SMILES：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncc(F)cn5)CC4)ccc3C)c(F)c12

HCID59505116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-de1932588bae420bb0ab92772183fd8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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