HRID1539042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7012

Benzeneacetic acid, .alpha.-ethyl-

C10H12O2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID587850

2-Amino-5,6-dihydro-4H-benzothiazol-7-one

C7H8N2OS

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CCC(C(=O)Nc1nc2c(s1)C(=O)CCC2)c1ccccc1

HCID49718789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35e1f861183943839cf62a98bfb645e4
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

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