HRID141372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2ncnc(OCCO)c2Br)cc1

HCID11026374

未命名化合物

HCID21979532

未命名化合物

PRODUCTS

生成物

结构：CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2Br)nc1

HCID11071742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07f9b0834fac4c78b570fffcd4b79316
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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