HRID1139943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID5360545

Sodium

HCID20563682

1,3-Benzoxazole-2-carboxylic acid

C8H5NO3

结构：CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(=O)OC(C)(C)C

HCID68711776

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3nc4ccccc4o3)cc2)cc1)C(=O)OC(C)(C)C

HCID68714453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80423887cbd54ee6a3b31e0f7e1e1a15
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

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