HRID138029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1512561

2,4-Dimethylnicotinic acid

C8H9NO2

结构：CC(CCN)N1CCC(C2(c3ccc(OC(F)(F)F)cc3)Oc3ccccc3O2)CC1

HCID68972979

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(C)c1C(=O)NCCC(C)N1CCC(C2(c3ccc(OC(F)(F)F)cc3)Oc3ccccc3O2)CC1

HCID57563063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8996e64f6f294ffa98f8e887f02adc90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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