HRID115147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID6485560

4-(2-Methoxyethoxy)benzaldehyde

C10H12O3

结构：OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCNCC1

HCID16656274

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccc(CN2CCC(O)(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

HCID86633670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8068ec46de184fcfad4fe6d9825b731d
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

[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:58]([Cl:59])[Cl:60].[CH3:31][O:32][CH2:33][CH2:34][O:35][c:36]1[cH:37][cH:38][c:39]([CH:40]=[O:41])[cH:42][cH:43]1.[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH:10]([C:11]2([OH:17])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[c:18]2[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]2)[cH:8][cH:9]1)([F:29])[F:30].[Na+:57].[OH2:61]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH:10]([C:11]2([OH:17])[CH2:12][CH2:13][N:14]([CH2:40][c:39]3[cH:38][cH:37][c:36]([O:35][CH2:34][CH2:33][O:32][CH3:31])[cH:43][cH:42]3)[CH2:15][CH2:16]2)[c:18]2[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]2)[cH:8][cH:9]1)([F:29])[F:30]