HRID97155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID86038553

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccccc3)nc12

HCID11566893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b0630136a3a41b98c559aa088aafb25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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