HRID1149100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID10442

1,3-Propanediol

C3H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

反应SMILES：CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1

HCID86593768

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1

HCID86593769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-10b3203360a440218f0589fba652a86d
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

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