HRID167901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID17750681

2-(Bromomethyl)-1-chloro-3-(trifluoromethyl)benzene

C8H5BrClF3

结构：CCCC(F)CN1CCC(NC(=O)C2(CC(=O)OC(C)(C)C)CN(Cc3ccccc3)CC2C)CC1

HCID71293808

未命名化合物

PRODUCTS

生成物

结构：CCCC(F)CN1CCC(NC(=O)C2(CC(=O)OC(C)(C)C)CN(Cc3c(Cl)cccc3C(F)(F)F)CC2C)CC1

HCID71293835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8ff51c6194445678af13e675588d2fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:39][CH2:40][c:41]1[c:42]([Cl:51])[cH:43][cH:44][cH:45][c:46]1[C:47]([F:48])([F:49])[F:50].[C:52](=[O:53])([O-:54])[O-:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH:23]([CH2:24][CH2:25][CH3:26])[F:27])[CH2:20][CH2:21]2)=[O:28])([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH:11]([CH3:13])[CH2:12]1.[CH3:37][OH:38].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[K+:56].[K+:57].[OH-:58].[OH-:60].[OH2:61].[Pd+2:59]>>[N:8]1([CH2:40][c:41]2[c:42]([Cl:51])[cH:43][cH:44][cH:45][c:46]2[C:47]([F:48])([F:49])[F:50])[CH2:9][C:10]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH:23]([CH2:24][CH2:25][CH3:26])[F:27])[CH2:20][CH2:21]2)=[O:28])([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH:11]([CH3:13])[CH2:12]1