HRID294601

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

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID15970

2-Thiopheneacetic acid

C6H6O2S

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CCOC(=O)C(C)CC(N)Cc1ccc(-c2ccccc2)cc1

HCID57004314

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)Cc1cccs1

HCID178471321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54e07914302d4509b614941121ca0541
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

[CH2:35]([CH3:36])[O:37][C:38]([CH:39]([CH2:40][CH:41]([CH2:42][c:43]1[cH:44][cH:45][c:46](-[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:47][cH:48]1)[NH2:55])[CH3:56])=[O:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[ClH:34].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[s:1]1[c:2]([CH2:6][C:7](=[O:8])[OH:9])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][C:7](=[O:9])[NH:55][CH:41]([CH2:40][CH:39]([C:38]([O:37][CH2:35][CH3:36])=[O:57])[CH3:56])[CH2:42][c:43]2[cH:44][cH:45][c:46](-[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:47][cH:48]2)[cH:3][cH:4][cH:5]1