HRID1142447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID2734027

4-Bromo-2-fluorobenzyl alcohol

C7H6BrFO

HCID59438216

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1c(CN2CCN(c3nccnc3-c3ccc(CO)c(F)c3)CC2)cnn1C

HCID59322041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b808e220a2a64c80aeda27ce9f6cf6db
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:20][c:21]1[cH:22][c:23]([F:29])[c:24]([CH2:27][OH:28])[cH:25][cH:26]1.[C:74](=[O:75])([O-:76])[O-:77].[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[O:47]1.[CH3:49][C:50](=[O:51])[O-:52].[CH3:81][N:82]([CH3:83])[C:84](=[O:85])[CH3:86].[CH3:87][C:88]#[N:89].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cl:53][c:54]1[c:55]([N:60]2[CH2:61][CH2:62][N:63]([CH2:66][c:67]3[cH:68][n:69][n:70]([CH3:73])[c:71]3[CH3:72])[CH2:64][CH2:65]2)[n:56][cH:57][cH:58][n:59]1.[ClH:80].[K+:48].[K+:78].[K+:79].[OH2:90]>>[ClH:53].[c:21]1(-[c:54]2[c:55]([N:60]3[CH2:61][CH2:62][N:63]([CH2:66][c:67]4[cH:68][n:69][n:70]([CH3:73])[c:71]4[CH3:72])[CH2:64][CH2:65]3)[n:56][cH:57][cH:58][n:59]2)[cH:22][c:23]([F:29])[c:24]([CH2:27][OH:28])[cH:25][cH:26]1