HRID208127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID23994

Zinc

结构：CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])cc1F)c1ccc(F)cc1

HCID72986381

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)c(N)cc1F)c1ccc(F)cc1

HCID77299984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a6e504ab2a143f7a6bf7a5edfaa360d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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