HRID700952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID736341

4-(Chloromethyl)-2-methylthiazole

C5H6ClNS

反应SMILES：CCOCc1nc2c(N)nc3cc(O)ccc3c2n1CC(C)(C)O

HCID136340538

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2c(N)nc3cc(OCc4csc(C)n4)ccc3c2n1CC(C)(C)O

HCID57545334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bbf773694d2b488e9c433d97b2b627f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Br-:47].[C:25](=[O:26])([O-:27])[O-:28].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[Cl:31][CH2:32][c:33]1[n:34][c:35]([CH3:38])[s:36][cH:37]1.[ClH:39].[Cs+:29].[Cs+:30].[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([OH:24])[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:20][O:21][CH2:22][CH3:23])[n:14]2[CH2:15][C:16]([CH3:17])([CH3:18])[OH:19].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:24][CH2:32][c:33]3[n:34][c:35]([CH3:38])[s:36][cH:37]3)[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:20][O:21][CH2:22][CH3:23])[n:14]2[CH2:15][C:16]([CH3:17])([CH3:18])[OH:19]