HRID105977

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(Nc1c(F)cc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)c1F)c1ccc(F)cc1

HCID145729361

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1c(F)cc(N)c(Nc2cc(C3CC3)[nH]n2)c1F)c1ccc(F)cc1

HCID145729363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97716d10758e4099acaa202fb74e3741
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

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