HRID691952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(Br)c2s1

HCID24864217

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cccc(N(C)C)n1

HCID57813708

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(N(C)C)n3)c2s1

HCID57813600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-018163218a4c40d3bd35e5c7ee80bb18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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