HRID99471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24682

Sulfur trioxide

O3S

HCID197148

Chlorite

ClO2-

结构：CC1(C)CC(Nc2nccc(-c3cn(COCC[Si](C)(C)C)c4cc(CO)ccc34)n2)CC(C)(C)N1

HCID57936184

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(Nc2nccc(-c3cn(COCC[Si](C)(C)C)c4cc(C(=O)O)ccc34)n2)CC(C)(C)N1

HCID57936135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad97dd4106e84196a9cfee6678cbebc6
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

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