HRID1148888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID5360545

Sodium

HCID21111571

未命名化合物

结构：Cn1c(C(=O)O)c(Nc2ccc(I)cc2F)c2cnccc21

HCID59596445

未命名化合物

PRODUCTS

生成物

结构：CC(CONC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C)O[Si](C)(C)C(C)(C)C

HCID178460310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a8d41ab323a44678761525f73678e72
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:24]([CH3:25])([CH3:26])([CH3:27])[Si:28]([O:29][CH:30]([CH2:31][O:32][NH2:33])[CH3:34])([CH3:35])[CH3:36].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:2][c:3]1[c:4]([NH:10][c:11]2[c:12]([C:21](=[O:22])[OH:23])[n:13]([CH3:20])[c:14]3[c:15]2[cH:16][n:17][cH:18][cH:19]3)[cH:5][cH:6][c:7]([I:9])[cH:8]1.[Na:1].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[F:2][c:3]1[c:4]([NH:10][c:11]2[c:12]([C:21](=[O:23])[NH:33][O:32][CH2:31][CH:30]([O:29][Si:28]([C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:35])[CH3:36])[CH3:34])[n:13]([CH3:20])[c:14]3[c:15]2[cH:16][n:17][cH:18][cH:19]3)[cH:5][cH:6][c:7]([I:9])[cH:8]1