HRID291303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID1140

Toluene

C7H8

HCID10442

1,3-Propanediol

C3H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

反应SMILES：CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CCN1CCNCC1

HCID21984130

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCN1CCNCC1

HCID21984184

2-ethoxymethyl-1-(2-piperazin-1-ylethyl)-7-(pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-4-amine

C24H29N7O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8ecfbdd2bd9541399b09a72f6fb335f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Br:28][c:29]1[cH:30][cH:31][c:32]2[c:33]3[c:34]([c:35]([NH2:39])[n:36][c:37]2[cH:38]1)[n:40][c:41]([CH2:51][O:52][CH2:53][CH3:54])[n:42]3[CH2:43][CH2:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH2:55]([OH:56])[CH2:57][CH2:58][OH:59].[CH2:76]([OH:77])[CH2:78][CH3:79].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[ClH:26].[ClH:27].[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[OH2:89].[Pd+2:80].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[n:60]1[cH:61][c:62]([B:66]([OH:67])[OH:68])[cH:63][cH:64][cH:65]1>>[c:29]1(-[c:62]2[cH:61][n:60][cH:65][cH:64][cH:63]2)[cH:30][cH:31][c:32]2[c:33]3[c:34]([c:35]([NH2:39])[n:36][c:37]2[cH:38]1)[n:40][c:41]([CH2:51][O:52][CH2:53][CH3:54])[n:42]3[CH2:43][CH2:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1