HRID2142272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID23994

Zinc

结构：COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)n1C)C(=O)OC(C)(C)C

HCID57919584

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C)C(=O)OC(C)(C)C

HCID57919490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad2cb87989664cad958170e669021f48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:42][OH:43].[Cl-:40].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[n:15]([CH3:32])[c:16]([CH2:19][N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:28][CH2:29][O:30][CH3:31])[cH:17][n:18]2)[s:13]3)[cH:33][cH:34][c:35]([N+:37]([O-:38])=[O:39])[cH:36]1.[NH4+:41].[OH2:44].[Zn:45]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[n:15]([CH3:32])[c:16]([CH2:19][N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:28][CH2:29][O:30][CH3:31])[cH:17][n:18]2)[s:13]3)[cH:33][cH:34][c:35]([NH2:37])[cH:36]1