HRID1213214

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

HCID14284

N,N-Dimethylpyridin-4-amine

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-dc6762145bd84c309962e240a0e28398
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]([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][S:52]([Cl:53])(=[O:54])=[O:55].[CH3:57][C:58](=[O:59])[OH:60].[CH3:67][N:68]([CH3:69])[c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1.[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:56].[Na+:46].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:66].[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:52]([CH3:51])(=[O:54])[OH:55]