HRID686997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID23938

Palladium

结构：CC1(C)OB(c2cccc3cc(-c4nc(NCCN5CCNC5=O)ncc4F)sc23)OC1(C)C

HCID66673481

未命名化合物

HCID86640490

5-Azidomethyl-2-fluoro-4-iodo-pyridine

C6H4FIN4

PRODUCTS

生成物

结构：[N-]=[N+]=NCc1cnc(F)cc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12

HCID86640496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86b84cb771d44fb5931978f6d0b63995
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

[CH3:52][S:53]([CH3:54])=[O:55].[F:13][c:14]1[c:15](-[c:29]2[cH:30][c:31]3[c:32]([s:33]2)[c:34]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:35][cH:36][cH:37]3)[n:16][c:17]([NH:20][CH2:21][CH2:22][N:23]2[C:24](=[O:28])[NH:25][CH2:26][CH2:27]2)[n:18][cH:19]1.[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[c:6]([I:12])[cH:7][c:8]([F:11])[n:9][cH:10]1.[Na+:51].[O-:47][C:48]([OH:49])=[O:50].[OH2:56].[Pd:57]>>[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[c:6](-[c:34]2[c:32]3[c:31]([cH:30][c:29](-[c:15]4[c:14]([F:13])[cH:19][n:18][c:17]([NH:20][CH2:21][CH2:22][N:23]5[C:24](=[O:28])[NH:25][CH2:26][CH2:27]5)[n:16]4)[s:33]3)[cH:37][cH:36][cH:35]2)[cH:7][c:8]([F:11])[n:9][cH:10]1