HRID2163082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

反应SMILES：CC(C)(C)OC(=O)N1CC(CNc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)C1

HCID86647629

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CC(CNc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)C1

HCID68671777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c9408df8fb3542ca9dbbcf633e12625d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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