HRID321399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6422

未命名化合物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cc(CCO[Si](C)(C)C(C)(C)C)cs4)CC3)C2)cs1

HCID57989092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a53ff1b7492e482f95b58b24be38612a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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