HRID213702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID18470813

未命名化合物

结构：COCCN(Cc1cccc(CCNc2ncc(C)n(CC(=O)O)c2=O)c1)C(=O)C(F)(F)F

HCID18470894

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1cccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cc(C)c4c3)c2=O)c1)C(=O)C(F)(F)F

HCID18470950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4190d1698ecb4daea45525f698144ca8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:12][O:13][CH2:14][CH2:15][N:16]([C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:23][c:24]1[cH:25][c:26]([CH2:27][CH2:28][NH:29][c:30]2[c:31](=[O:41])[n:32]([CH2:37][C:38](=[O:39])[OH:40])[c:33]([CH3:36])[cH:34][n:35]2)[cH:42][cH:43][cH:44]1.[CH3:45][N:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[CH3:52][c:53]1[cH:54][nH:55][c:56]2[cH:57][cH:58][c:59]([CH2:62][NH2:63])[cH:60][c:61]12.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[OH2:1].[OH:2][c:3]1[c:4]2[n:5][n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1>>[CH3:12][O:13][CH2:14][CH2:15][N:16]([C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:23][c:24]1[cH:25][c:26]([CH2:27][CH2:28][NH:29][c:30]2[c:31](=[O:41])[n:32]([CH2:37][C:38](=[O:39])[NH:63][CH2:62][c:59]3[cH:58][cH:57][c:56]4[nH:55][cH:54][c:53]([CH3:52])[c:61]4[cH:60]3)[c:33]([CH3:36])[cH:34][n:35]2)[cH:42][cH:43][cH:44]1