HRID213737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID12749

2-Methylimidazole

C4H6N2

HCID85570

Tosylate

C7H7O3S-

HCID166653

Hydride

H-

HCID14523557

tert-Butyl [3-(hydroxymethyl)phenyl]carbamate

C12H17NO3

PRODUCTS

生成物

HCID57982099

Carbamic acid, [3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl]-, 1,1-dimethylethyl ester

C16H21N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-605a9d8baadd43f4ba39511b7bf2297f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([CH2:15][OH:16])[cH:12][cH:13][cH:14]1.[CH3:28][c:29]1[nH:30][cH:31][cH:32][n:33]1.[H-:34].[Na+:35].[O-:36][S:37]([c:38]1[cH:39][cH:40][c:41]([CH3:42])[cH:43][cH:44]1)(=[O:45])=[O:46].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([Cl:23])(=[O:24])=[O:25])[cH:26][cH:27]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([CH2:15][n:30]2[c:29]([CH3:28])[n:33][cH:32][cH:31]2)[cH:12][cH:13][cH:14]1