HRID117021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID736496

4-(CHLOROMETHYL)-2-(2-THIENYL)-1,3-THIAZOLE

C8H6ClNS2

结构：CCOCc1nc2c(N)nc3cc(O)ccc3c2n1CC(C)(C)O

HCID136340538

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(N)nc3cc(OCc4csc(-c5cccs5)n4)ccc3c2n1CC(C)(C)O

HCID57545286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0124dbdcf6b047bab8dd83607222d502
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

[Br-:50].[C:25](=[O:26])([O-:27])[O-:28].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:51][CH2:52][CH2:53][CH2:54][N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][C:69]#[N:70].[Cl:31][CH2:32][c:33]1[n:34][c:35](-[c:38]2[s:39][cH:40][cH:41][cH:42]2)[s:36][cH:37]1.[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]>>[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](-[c:38]4[s:39][cH:40][cH:41][cH:42]4)[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]