HRID1120560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46835223

6-(Chloromethyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one

C13H16ClNO3

反应SMILES：O=C(OCc1ccccc1)N1CCC(c2ccc(OCC(F)(F)COc3ccccc3)cc2)C(O)C1

HCID68500743

未命名化合物

PRODUCTS

产物

反应SMILES：COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCC(F)(F)COc4ccccc4)cc3)cc21

HCID68505370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fb792252d81942a1a606fa2ebf887228
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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