HRID945036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID69220256

未命名化合物

结构：O=S(c1ccc(C=Cc2nc(CCl)co2)cc1)C(F)(F)F

HCID69292389

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1coc(C=Cc2ccc(S(=O)C(F)(F)F)cc2)n1)c1ccc(CCCCn2ccnn2)cc1

HCID77660560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4479cb9520c4c0a9c8fd8e2d31def22
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][n:18]2[n:19][n:20][cH:21][cH:22]2)[cH:12][cH:13]1)=[O:23].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl-:47].[Cl:26][CH2:27][c:28]1[n:29][c:30]([CH:33]=[CH:34][c:35]2[cH:36][cH:37][c:38]([S:41](=[O:42])[C:43]([F:44])([F:45])[F:46])[cH:39][cH:40]2)[o:31][cH:32]1.[H-:24].[NH4+:48].[Na+:25]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][n:18]2[n:19][n:20][cH:21][cH:22]2)[cH:12][cH:13]1)[CH2:27][c:28]1[n:29][c:30]([CH:33]=[CH:34][c:35]2[cH:36][cH:37][c:38]([S:41](=[O:42])[C:43]([F:44])([F:45])[F:46])[cH:39][cH:40]2)[o:31][cH:32]1)=[O:23]