HRID2310106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68424

Propanamide, 2-methyl-

C4H9NO

HCID5250894

未命名化合物

结构：O=C(O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21

HCID23614307

未命名化合物

结构：COC(=O)C(C)(C)N1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

HCID59264602

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3cccnc32)CC1

HCID25007954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-600b06c414584a81b153be4dbbca395b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:26]([c:27]1[nH:28][cH:29][cH:30][n:31]1)([c:32]1[nH:33][cH:34][cH:35][n:36]1)=[O:37].[CH3:38][CH:39]([CH3:40])[C:41]([NH2:42])=[O:43].[CH3:44][C:45]([C:46](=[O:47])[O:48][CH3:49])([CH3:50])[N:51]1[CH2:52][CH2:53][CH:54]([NH:57][CH2:58][c:59]2[cH:60][cH:61][c:62](-[c:65]3[cH:66][cH:67][c:68]([C:71]([F:72])([F:73])[F:74])[cH:69][cH:70]3)[cH:63][cH:64]2)[CH2:55][CH2:56]1.[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[OH:25])[c:13]3[n:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[cH:20]2)[cH:4][cH:5][cH:6][c:7]1[F:8]>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[N:57]([CH:54]3[CH2:53][CH2:52][N:51]([C:45]([CH3:44])([C:46](=[O:47])[O:48][CH3:49])[CH3:50])[CH2:56][CH2:55]3)[CH2:58][c:59]3[cH:60][cH:61][c:62](-[c:65]4[cH:66][cH:67][c:68]([C:71]([F:72])([F:73])[F:74])[cH:69][cH:70]4)[cH:63][cH:64]3)[c:13]3[n:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[cH:20]2)[cH:4][cH:5][cH:6][c:7]1[F:8]