HRID310645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2757679

2-(Chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole

C6H7ClN2S

结构：CCOC(=O)C(CCCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1c[nH]cn1

HCID178471441

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1cn(Cc2nnc(C3CC3)s2)cn1

HCID67443151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0b815c3662c44228707410e6ba24a97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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