HRID827662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)OCCOc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1

HCID66815166

未命名化合物

HCID178510760

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OCCOc1ccc(C(NC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)c2nc3cc(I)ccc3[nH]2)cc1

HCID178450556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e98a81c52ef4cde814bb4fd85d2ed55
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[NH:27][CH:28]([C:29](=[O:30])[OH:31])[c:32]1[cH:33][cH:34][c:35]([O:38][CH2:39][CH2:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37]1.[CH3:89][N:90]([CH3:91])[CH:92]=[O:93].[CH3:94][N:95]([CH3:96])[c:97]1[cH:98][cH:99][n:100][cH:101][cH:102]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[I:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[NH2:17])[n:8]2)[cH:18][cH:19]1.[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1.[P-:65]([F:66])([F:67])([F:68])([F:69])([F:70])[F:71].[n:72]1([O:73][C:74]([N:75]([CH3:76])[CH3:77])=[N+:78]([CH3:79])[CH3:80])[c:81]2[cH:82][cH:83][cH:84][cH:85][c:86]2[n:87][n:88]1>>[I:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[NH:17][C:29]([CH:28]([NH:27][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[c:32]3[cH:33][cH:34][c:35]([O:38][CH2:39][CH2:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37]3)=[O:30])[n:8]2)[cH:18][cH:19]1