HRID91831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

2 次

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5964

Benzyltrimethylammonium

C10H16N+

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-68b474206b92484db319a92cd46fd86c
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

[CH2:1]([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].[CH2:32]([N+:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:101][OH:102].[CH3:25][S:26][CH2:27][S:28]([CH3:29])=[O:30].[CH3:66][C:67](=[O:68])[O-:69].[CH:43]([c:44]1[cH:45][cH:46][cH:47][c:48]2[c:49]1[S:50][c:51]1[c:52]([CH2:53][C:54]([O:55][CH3:56])=[O:57])[cH:58][cH:59][cH:60][c:61]1[N:62]2[CH3:63])=[O:64].[ClH:31].[ClH:70].[N:73]([OH:74])=[CH:75][c:76]1[c:77]2[c:86]([cH:87][cH:88][cH:89]1)[N:85]([CH3:90])[c:84]1[c:79]([c:80]([CH2:91][C:92](=[O:93])[O:94][CH3:95])[cH:81][cH:82][cH:83]1)[S:78]2.[NH2:71][OH:72].[Na+:65].[O:96]1[CH2:97][CH2:98][CH2:99][CH2:100]1.[OH2:103]>>[ClH:31].[NH2:73][CH2:75][c:76]1[c:77]2[c:86]([cH:87][cH:88][cH:89]1)[N:85]([CH3:90])[c:84]1[c:79]([c:80]([CH2:91][C:92](=[O:93])[O:94][CH3:95])[cH:81][cH:82][cH:83]1)[S:78]2