HRID116300

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：O=[N+]([O-])c1cc(F)c(NC(CO)c2ccc(F)cc2)c(F)c1Nc1cc(C2CC2)[nH]n1

HCID87063299

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(F)c(NC(CO)c2ccc(F)cc2)c(F)c1Nc1cc(C2CC2)[nH]n1

HCID87063421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-119dc65699a54bbe95e0938eb76a6f60
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

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][OH:40].[CH:3]1([c:6]2[cH:7][c:8]([NH:11][c:12]3[c:13]([F:33])[c:14]([NH:22][CH:23]([CH2:24][OH:25])[c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]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+:34].[Zn:46]>>[CH:3]1([c:6]2[cH:7][c:8]([NH:11][c:12]3[c:13]([F:33])[c:14]([NH:22][CH:23]([CH2:24][OH:25])[c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[c:15]([F:21])[cH:16][c:17]3[NH2:18])[n:9][nH:10]2)[CH2:4][CH2:5]1