HRID1556864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57615935

未命名化合物

HCID57775518

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(-n2ncc3c(NCC(O)(CC(C)(C)c4cccc5c4OCC5)C(F)(F)F)cccc32)c1

HCID57615954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9259e4b7f6948858baebe7c5ba1305d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][C:2]([CH2:3][C:4]1([C:7]([F:8])([F:9])[F:10])[O:5][CH2:6]1)([CH3:11])[c:12]1[cH:13][cH:14][cH:15][c:16]2[c:20]1[O:19][CH2:18][CH2:17]2.[NH2:21][c:22]1[c:23]2[cH:24][n:25][n:26](-[c:31]3[cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41]3)[c:27]2[cH:28][cH:29][cH:30]1>>[CH3:1][C:2]([CH2:3][C:4]([OH:5])([CH2:6][NH:21][c:22]1[c:23]2[cH:24][n:25][n:26](-[c:31]3[cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41]3)[c:27]2[cH:28][cH:29][cH:30]1)[C:7]([F:8])([F:9])[F:10])([CH3:11])[c:12]1[cH:13][cH:14][cH:15][c:16]2[c:20]1[O:19][CH2:18][CH2:17]2