HRID671234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID222701

2-bromoisonicotinic acid

C6H4BrNO2

HCID4641409

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

C10H15N6O+

HCID22736972

4-methoxy-N7-methyl-N7-(tetrahydro-pyran-4-yl)-benzothiazole-2,7-diamine

C14H19N3O2S

PRODUCTS

产物

HCID22736999

2-bromo-N-{4-methoxy-7-[methyl-(tetrahydro-pyran-4-yl)-amino]-benzothiazol-2-yl}-isonicotinamide

C20H21BrN4O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-50ea8aea956c4411bcf7610f8a09778e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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