HRID1240322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

反应SMILES：Cc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Oc2ccccc2)cc1

HCID58267955

未命名化合物

反应SMILES：COCCOc1cc2ncnc(Oc3cccc(N)c3)c2cc1OC

HCID66875805

未命名化合物

PRODUCTS

产物

反应SMILES：COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccc(C)cc4)c3)c2cc1OC

HCID58267740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7a6962e4028f45a0aa33c47aaa725ec8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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