HRID195051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(=O)O)c(C)s3)nc21

HCID58180650

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(=O)N(C)C)c(C)s3)nc21

HCID58180598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-981fa27332444bd8918423931ab4f56d
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

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