HRID303790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID22737005

未命名化合物

PRODUCTS

产物

HCID22737003

4-Fluoro-N-{4-methoxy-7-[methyl-(tetrahydro-pyran-4-ylmethyl)-amino]-benzothiazol-2-yl}-benzamide

C22H24FN3O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e706ba3aa3e447ccadb270684f6f9ee7
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

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