HRID137815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1390

1-Methylimidazole

C4H6N2

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1

HCID81042

2,4,6-Triisopropylbenzenesulfonyl chloride

C15H23ClO2S

HCID98586

N-tert-Butylhydroxylamine

C4H11NO

2 次

HCID184185

2-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]benzoic acid

C13H12N2O5

PRODUCTS

生成物

结构：COc1cc(OC)nc(Oc2ccccc2C(=O)ONC(C)(C)C)n1

HCID19090480

(1,1-Dimethylethyl)azanyl 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate

C17H21N3O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98e1ef3eed0d4647aa76b4721550eee1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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