HRID154302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID14557402

未命名化合物

结构：CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(C(=O)O)s1

HCID22285225

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(NC(=O)c1ccc(C(=O)NCCCNC(=O)OC(C)(C)C)s1)c1ccccc1

HCID54076767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f360b2b110f455b9cb4156b22b95157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:20](=[O:21])[OH:22])[s:19]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([CH2:29][CH:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH2:37])=[O:38].[C:83]([O:84][CH2:85][CH3:86])(=[O:87])[CH3:88].[CH3:77][CH2:78][CH2:79][CH2:80][CH2:81][CH3:82].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[n:63]1[c:64]([CH3:65])[cH:66][c:67]([CH3:68])[cH:69][c:70]1[CH3:71]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:20](=[O:22])[NH:37][CH:30]([CH2:29][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:38])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[s:19]1