HRID158603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID77922

tert-Butyl carbamate

C5H11NO2

HCID642685

2-phenyl-1,3,2-dioxaborinane

C9H11BO2

HCID58816122

未命名化合物

PRODUCTS

生成物

HCID77922

tert-Butyl carbamate

C5H11NO2

结构：NCCNS(=O)(=O)c1cc(-c2ccccc2)cc2cnccc12

HCID11290356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3fcd5c2a290470db508f847b21feba3
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH2:7])=[O:8].[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:51][OH:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[NH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]1[c:17]2[cH:18][cH:19][n:20][cH:21][c:22]2[cH:23][c:24]([Br:26])[cH:25]1.[Na+:43].[Na+:44].[c:27]1([B:33]2[O:34][CH2:35][CH2:36][CH2:37][O:38]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH2:7])=[O:8].[NH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]1[c:17]2[cH:18][cH:19][n:20][cH:21][c:22]2[cH:23][c:24](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:25]1