HRID1540380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID22238123

未命名化合物

结构：NCc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID66822494

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(F)cc(N2CCOCC2)c1

HCID66822804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68e9d54e5dfa4048b577574f13377857
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

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