HRID1214668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2724942

未命名化合物

HCID57989215

未命名化合物

结构：CC(Cc1cccc(C=O)c1)N(CC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)OC(C)(C)C

HCID90737544

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(=O)N2CCOC3(CCN(Cc4cccc(CC(C)N(CC(O[Si](C)(C)C(C)(C)C)c5ccc(O)c6[nH]c(=O)ccc56)C(=O)OC(C)(C)C)c4)CC3)C2)cs1

HCID91183423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7cfdca90f364abfb5ed2f71fb239675
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[CH:17]([CH2:18][c:19]1[cH:20][c:21]([CH:25]=[O:26])[cH:22][cH:23][cH:24]1)[CH3:27])[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41].[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:77](=[O:78])([OH:79])[O-:80].[CH3:83][C:84](=[O:85])[OH:86].[CH3:87][N:88]1[CH2:89][CH2:90][CH2:91][C:92]1=[O:93].[CH:42]([CH3:43])([CH3:44])[c:45]1[cH:46][c:47]([C:50](=[O:51])[N:52]2[CH2:53][CH2:54][O:55][C:56]3([CH2:57]2)[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]3)[cH:48][s:49]1.[Na+:76].[Na+:81].[OH2:82]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[CH:17]([CH2:18][c:19]1[cH:20][c:21]([CH2:25][N:60]2[CH2:59][CH2:58][C:56]3([O:55][CH2:54][CH2:53][N:52]([C:50]([c:47]4[cH:46][c:45]([CH:42]([CH3:43])[CH3:44])[s:49][cH:48]4)=[O:51])[CH2:57]3)[CH2:62][CH2:61]2)[cH:22][cH:23][cH:24]1)[CH3:27])[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]