HRID91910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID33558

Azide

N3-

结构：COC(=O)c1cccc(-c2ccc(S(=O)(=O)CCc3c(CCOS(C)(=O)=O)n(C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc34)cc2)c1

HCID21962370

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(-c2ccc(S(=O)(=O)CCc3c(CCN=[N+]=[N-])n(C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc34)cc2)c1

HCID21962273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bba761eac5a4cf9a436a2122ac79bae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH2:45][CH2:46][O:47][S:48]([CH3:49])(=[O:50])=[O:51])[c:16]([CH2:24][CH2:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32](-[c:35]3[cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43][cH:44]3)[cH:33][cH:34]2)[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]12.[N-:53]=[N+:54]=[N-:55].[Na+:52].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH2:45][CH2:46][N:53]=[N+:54]=[N-:55])[c:16]([CH2:24][CH2:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32](-[c:35]3[cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43][cH:44]3)[cH:33][cH:34]2)[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]12