HRID185832

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+

HCID22737005

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C)CC2CCOCC2)c2sc(NC(=O)c3ccnc(Br)c3)nc12

HCID22736990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e164761f7b0d4094af8bf6226b033c2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]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]([CH2:55][CH:56]2[CH2:57][CH2:58][O:59][CH2:60][CH2:61]2)[CH3:62])[c:48]2[c:49]1[n:50][c:51]([NH2:53])[s:52]2.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[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]([CH2:55][CH:56]4[CH2:57][CH2:58][O:59][CH2:60][CH2:61]4)[CH3:62])[c:48]3[s:52]2)[cH:8][cH:9][n:10]1