HRID303334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COc1cc(C(=O)N2CCc3c2ccc(F)c3F)cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)n1

HCID42614090

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)[nH]c(=O)c1)N1CCc2c1ccc(F)c2F

HCID42613456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6244466a9cb4ee9b95772587dfd8cfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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