HRID2149106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1088

N-Methylglycine

C3H7NO2

HCID11768608

2,2-dimethyl-1,3-dioxan-5-amine

C6H13NO2

HCID86660609

未命名化合物

结构：CC(C)N(Cc1ccc(-c2ccc(C=O)cc2)s1)c1ccc(F)cc1

HCID86660611

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CCCc1ccc(CNC2COC(C)(C)OC2)cc1)c1ccc(F)cc1

HCID66614918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2320ef0d14ec48a896e3a009bd341a30
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

[CH3:23][C:24]1([CH3:31])[O:25][CH2:26][CH:27]([NH2:30])[CH2:28][O:29]1.[ClH:57].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]([CH2:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]2)[CH:20]([CH3:21])[CH3:22])[cH:6][cH:7]1.[F:32][c:33]1[cH:34][cH:35][c:36]([N:37]([CH2:38][c:39]2[s:40][c:41](-[c:42]3[cH:43][cH:44][c:45]([CH:46]=[O:47])[cH:48][cH:49]3)[cH:50][cH:51]2)[CH:52]([CH3:53])[CH3:54])[cH:55][cH:56]1.[NH:58]([CH2:59][C:60]([OH:61])=[O:62])[CH3:63]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]([CH2:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH2:16][NH:30][CH:27]3[CH2:26][O:25][C:24]([CH3:23])([CH3:31])[O:29][CH2:28]3)[cH:18][cH:19]2)[CH:20]([CH3:21])[CH3:22])[cH:6][cH:7]1