HRID1139899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID2756808

tert-Butyl 4-methylidenepiperidine-1-carboxylate

C11H19NO2

结构：O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(OC(F)(F)F)cc1

HCID11704475

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Cc2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1

HCID57949697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6470761d6584e2f9186e4ccd1cd2a0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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