HRID281629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C

HCID590018

TBDMS ether

C12H30OSi2

结构：COc1cc(C(=O)N2CC(CCO)OC2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

HCID77778117

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID77778117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7c8ca75e3064294829af243a71ade63
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:1]([Si:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])[CH3:12])([CH3:13])([CH3:14])[CH3:15].[CH3:51][N:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][n:58]1)[CH3:59].[CH3:60][S:61]([Cl:62])(=[O:63])=[O:64].[CH3:66][C:67](=[O:68])[OH:69].[Cl:16][c:17]1[cH:18][c:19]([CH:24]2[O:25][CH:26]([CH2:43][CH2:44][OH:45])[CH2:27][N:28]2[C:29]([c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)=[O:42])[cH:20][cH:21][c:22]1[Cl:23].[ClH:65].[Na+:46].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:75].[OH:47][C:48](=[O:49])[O-:50]>>[Cl:16][c:17]1[cH:18][c:19]([CH:24]2[O:25][CH:26]([CH2:43][CH2:44][OH:45])[CH2:27][N:28]2[C:29]([c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)=[O:42])[cH:20][cH:21][c:22]1[Cl:23].[O:47]=[S:61]([CH3:60])(=[O:63])[OH:64]