HRID830736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID167232

Periodate ion

IO4-

2 次

HCID5360545

Sodium

结构：O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)cc2s1

HCID25182860

SAR-125844

C25H23FN8O2S2

PRODUCTS

生成物

结构：O=C(NCC[N+]1([O-])CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)cc2s1

HCID86762090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77975e052c9c446993db3dfc7829f79d
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

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