HRID1224803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID99129

Methane, (methylsulfinyl)(methylthio)-

C3H8OS2

HCID18972474

未命名化合物

HCID54246440

未命名化合物

HCID86753153

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID54469012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53d5c6075a14425a90029f09a1a46ee1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([O:2][CH:3]([O:4][CH2:5][CH3:6])[c:7]1[cH:8][cH:9][cH:10][c:11]2[c:12]1[S:13][c:14]1[c:15]([CH:16]=[O:17])[cH:18][cH:19][cH:20][c:21]1[N:22]2[CH3:23])[CH3:24].[CH3:25][S:26][CH2:27][S:28]([CH3:29])=[O:30].[CH3:54][C:55](=[O:56])[O-:57].[CH3:89][OH:90].[CH:31]([c:32]1[cH:33][cH:34][cH:35][c:36]2[c:37]1[S:38][c:39]1[c:40]([CH2:41][C:42]([O:43][CH3:44])=[O:45])[cH:46][cH:47][cH:48][c:49]1[N:50]2[CH3:51])=[O:52].[ClH:58].[N:61]([OH:62])=[CH:63][c:64]1[c:65]2[c:74]([cH:75][cH:76][cH:77]1)[N:73]([CH3:78])[c:72]1[c:67]([c:68]([CH2:79][C:80](=[O:81])[O:82][CH3:83])[cH:69][cH:70][cH:71]1)[S:66]2.[NH2:59][OH:60].[Na+:53].[O:84]1[CH2:85][CH2:86][CH2:87][CH2:88]1.[OH2:91]>>[ClH:58].[NH2:61][CH2:63][c:64]1[c:65]2[c:74]([cH:75][cH:76][cH:77]1)[N:73]([CH3:78])[c:72]1[c:67]([c:68]([CH2:79][C:80](=[O:81])[O:82][CH3:83])[cH:69][cH:70][cH:71]1)[S:66]2