HRID185515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID23994

Zinc

反应SMILES：CC(Oc1c(N)ncc2c(-c3csc(C=O)c3)coc12)c1c(Cl)ccc(F)c1Cl

HCID76618448

未命名化合物

PRODUCTS

产物

反应SMILES：CC(Oc1c(N)ncc2c(-c3csc(CN)c3)coc12)c1c(Cl)ccc(F)c1Cl

HCID76618356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c3a3126651e440ca9d9010240b22a84
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

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