HRID2161401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2F)CC1

HCID58817540

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=NO)c2cccc(C(F)(F)F)c2F)CC1

HCID72434567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52b01fe2b88445119b8ffcf33449f490
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14]([c:15]2[c:16]([F:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]2)=[O:26])[CH2:12][CH2:13]1.[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[ClH:27].[NH2:28][OH:29].[OH2:36].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14]([c:15]2[c:16]([F:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]2)=[N:28][OH:29])[CH2:12][CH2:13]1