HRID99591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(OC1OCCC(C=O)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID17972352

未命名化合物

HCID69147335

未命名化合物

PRODUCTS

生成物

结构：CC(OC1OCCC(CN2CCC3(CC2)COC(C)(C)C3O)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178467531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d188ffd01a69484db89bd28fa4d43226
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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