HRID2158375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID69828

Cyclopropanamine

C3H7N

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CCC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)O)cn3)ccc2n1CC1CCOCC1

HCID57937303

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)NC4CC4)cn3)ccc2n1CC1CCOCC1

HCID23660488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03623ee0829e45099ec6f9e07b8763a0
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

[CH3:14][C:15]([CH2:16][CH3:17])([CH3:18])[c:19]1[n:20][c:21]2[c:22]([n:23]1[CH2:24][CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1)[cH:31][cH:32][c:33]([S:35](=[O:36])(=[O:37])[n:38]1[n:39][cH:40][c:41]([C:43](=[O:44])[OH:45])[cH:42]1)[cH:34]2.[CH:1]1([NH2:4])[CH2:2][CH2:3]1.[CH:5]([N:6]([CH2:7][CH3:8])[CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH:1]1([NH:4][C:43]([c:41]2[cH:40][n:39][n:38]([S:35]([c:33]3[cH:32][cH:31][c:22]4[c:21]([n:20][c:19]([C:15]([CH3:14])([CH2:16][CH3:17])[CH3:18])[n:23]4[CH2:24][CH:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[cH:34]3)(=[O:36])=[O:37])[cH:42]2)=[O:44])[CH2:2][CH2:3]1