HRID1203031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID104967

Cesium(1+)

Cs+

2 次

HCID2795198

2-bromo-1,3,4-thiadiazole

C2HBrN2S

HCID68414455

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2nncs2)CCC1NC(=O)c1nc(Cl)c(CC)[nH]1

HCID68416199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f8c0c1338c0452080dc0846901002e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:31][c:32]1[s:33][cH:34][n:35][n:36]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[Cl:2][c:3]1[n:4][c:5]([C:10](=[O:11])[NH:12][CH:13]2[CH:14]([O:19][CH2:20][CH3:21])[CH2:15][NH:16][CH2:17][CH2:18]2)[nH:6][c:7]1[CH2:8][CH3:9].[ClH:1].[Cs+:41].[Cs+:42].[OH2:50]>>[Cl:2][c:3]1[n:4][c:5]([C:10](=[O:11])[NH:12][CH:13]2[CH:14]([O:19][CH2:20][CH3:21])[CH2:15][N:16]([c:32]3[s:33][cH:34][n:35][n:36]3)[CH2:17][CH2:18]2)[nH:6][c:7]1[CH2:8][CH3:9]