HRID958496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

3 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

7 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID114853

Cerium(3+)

Ce+3

反应SMILES：Cc1ccccc1-c1cc(N2CCOCC2=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID10144852

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccccc1-c1cc(N2C=COCC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID10303207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-882f31447ebb4622abdbcd912f403dd1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[BH4-:53].[CH3:55][C:56](=[O:57])[CH3:58].[CH3:59][OH:60].[Ce+3:50].[Cl-:49].[Cl-:51].[Cl-:52].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([c:17]2[cH:18][n:19][c:20]([N:30]3[C:31](=[O:36])[CH2:32][O:33][CH2:34][CH2:35]3)[cH:21][c:22]2-[c:23]2[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]2)[CH3:37])([CH3:38])[CH3:39])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41].[Na+:54].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([c:17]2[cH:18][n:19][c:20]([N:30]3[CH:31]=[CH:32][O:33][CH2:34][CH2:35]3)[cH:21][c:22]2-[c:23]2[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]2)[CH3:37])([CH3:38])[CH3:39])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41]