HRID2158714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID595229

Indole-4-carboxylic acid

C9H7NO2

HCID4641409

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

C10H15N6O+

结构：Nc1nc(N)c(C(=O)N=C2NCC3(CC4CCC(C3)N4)N2)nc1Cl

HCID178508757

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(N)c(C(=O)N=C2NCC3(CC4CCC(C3)N4C(=O)c3cccc4[nH]ccc34)N2)nc1Cl

HCID178508753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa52845f43dd4917a416ce8a556b2579
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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