HRID308370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57615949

未命名化合物

HCID57775518

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2ncc3c(NCC(O)(CC(C)(C)c4cccc5c4OCC5)C(F)(F)F)cccc32)cc1

HCID57615932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3da5698f3754bc1a277035c3788fae1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26](-[n:29]2[n:30][cH:31][c:32]3[c:33]([NH2:38])[cH:34][cH:35][cH:36][c:37]23)[cH:27][cH:28]1>>[CH3:1][C:2]([CH2:3][C:4]([OH:5])([CH2:6][NH:38][c:33]1[c:32]2[cH:31][n:30][n:29](-[c:26]3[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27]3)[c:37]2[cH:36][cH:35][cH:34]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