HRID1120718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID22506610

{4-[(Dimethylamino)methyl]phenyl}boronic acid

C9H14BNO2

HCID67388009

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1

HCID57687110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5439d59a9c994938baf2a7aca07a5ae0
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

[CH3:24][N:25]([CH3:26])[CH2:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[CH3:83][CH2:84][OH:85].[CH3:87][O:88][CH2:89][CH2:90][O:91][CH3:92].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:86].[Pd:42]([Cl:43])[Cl:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[o:7]1[c:8](-[c:16]2[c:17]([NH2:23])[n:18][cH:19][c:20]([Br:22])[cH:21]2)[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2>>[o:7]1[c:8](-[c:16]2[c:17]([NH2:23])[n:18][cH:19][c:20](-[c:31]3[cH:30][cH:29][c:28]([CH2:27][N:25]([CH3:24])[CH3:26])[cH:33][cH:32]3)[cH:21]2)[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2