HRID178504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2777760

3-Phenyl-5-piperazino-1,2,4-thiadiazole

C12H14N4S

结构：CC(C)CC(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C1OC(C)(C)OC1=O

HCID72807234

未命名化合物

结构：CC(C)CC(C(=O)N1CCN(c2ccccn2)CC1)C(O)C(=O)NO

HCID72983429

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1)C1OC(C)(C)OC1=O

HCID178445116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b51dde9a17e473389f04517e38b8231
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][C:2]1([CH3:27])[O:3][C:4](=[O:26])[CH:5]([CH:7]([C:8]([O:10][c:9]2[c:11]([F:12])[c:13]([F:14])[c:15]([F:16])[c:17]([F:18])[c:19]2[F:20])=[O:21])[CH2:22][CH:23]([CH3:24])[CH3:25])[O:6]1.[ClH:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:28][NH:29][C:30](=[O:31])[CH:32]([OH:33])[CH:34]([C:35]([N:36]1[CH2:37][CH2:38][N:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][n:45]2)[CH2:46][CH2:47]1)=[O:48])[CH2:49][CH:50]([CH3:51])[CH3:52].[c:53]1(-[c:59]2[n:60][s:61][c:62]([N:64]3[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]3)[n:63]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][C:2]1([CH3:27])[O:3][C:4](=[O:26])[CH:5]([CH:7]([C:8](=[O:10])[N:67]2[CH2:66][CH2:65][N:64]([c:62]3[s:61][n:60][c:59](-[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[n:63]3)[CH2:69][CH2:68]2)[CH2:22][CH:23]([CH3:24])[CH3:25])[O:6]1