HRID1202023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57615963

未命名化合物

HCID57775518

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1F)C(F)(F)F)c1cccc2c1OCC2

HCID57615951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab3c33dcc44744198e771178f0d05584
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

[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.[F:21][c:22]1[c:23](-[n:29]2[n:30][cH:31][c:32]3[c:33]([NH2:38])[cH:34][cH:35][cH:36][c:37]23)[cH:24][cH:25][c:26]([F:28])[cH:27]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:23]3[c:22]([F:21])[cH:27][c:26]([F:28])[cH:25][cH:24]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