HRID122263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID171473

3-Isoxazolamine, 5-(1,1-dimethylethyl)-

C7H12N2O

结构：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1F

HCID86638550

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)N3CCN(Cc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)CC3)cc2F)no1

HCID44512154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe8eb87a3e794cb496ca654a01d66334
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

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