HRID1545772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID22467923

α-(Cyclopentylmethyl)[1,1′-biphenyl]-4-acetic acid

C20H22O2

PRODUCTS

生成物

结构：O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2ccccc2)cc1

HCID10177568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a44e055a5d834f7fbc1f2c5c69b5b689
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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