HRID304375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID736513

2-(3-pyridyl)-1,3-thiazole-4-carboxylic acid

C9H6N2O2S

结构：COCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1

HCID20066593

未命名化合物

PRODUCTS

生成物

结构：COCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1csc(-c2cccnc2)n1

HCID54199613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b8af31eaee34b8795976682f3025e67
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:46]([P:47](=[O:48])([O:49][CH2:50][CH3:51])[O:52][CH2:53][CH3:54])#[N:55].[CH3:2][O:3][CH2:4][CH:5]1[NH:6][CH2:7][CH2:8][N:9]([C:11]([c:12]2[cH:13][c:14]([O:22][CH3:23])[c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]2)=[O:24])[CH2:10]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[ClH:1].[n:25]1[cH:26][c:27](-[c:31]2[s:32][cH:33][c:34]([C:36](=[O:37])[OH:38])[n:35]2)[cH:28][cH:29][cH:30]1>>[CH3:2][O:3][CH2:4][CH:5]1[N:6]([C:36]([c:34]2[cH:33][s:32][c:31](-[c:27]3[cH:26][n:25][cH:30][cH:29][cH:28]3)[n:35]2)=[O:37])[CH2:7][CH2:8][N:9]([C:11]([c:12]2[cH:13][c:14]([O:22][CH3:23])[c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]2)=[O:24])[CH2:10]1