HRID316039

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

HCID1473790

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic Acid

C12H11NO4S

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(-c2ccc(OC)c(OC)c2)n1

HCID21625215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26dede7599ad4e75a9731b0e0fa25392
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:50]([P:51](=[O:52])([O:53][CH2:54][CH3:55])[O:56][CH2:57][CH3:58])#[N:59].[CH3:25][O:26][c:27]1[cH:28][c:29](-[c:35]2[s:36][cH:37][c:38]([C:40](=[O:41])[OH:42])[n:39]2)[cH:30][cH:31][c:32]1[O:33][CH3:34].[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.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[ClH:1]>>[CH3:2][O:3][CH2:4][CH:5]1[N:6]([C:40]([c:38]2[cH:37][s:36][c:35](-[c:29]3[cH:28][c:27]([O:26][CH3:25])[c:32]([O:33][CH3:34])[cH:31][cH:30]3)[n:39]2)=[O:41])[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