HRID145951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID59466073

未命名化合物

HCID67082651

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)N1CCCc2cc(Cl)ccc21

HCID59466016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ee51c3514d49e6b0eb8efa323f3b9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:62](=[O:63])([OH:64])[O-:65].[CH2:67]([Cl:68])[Cl:69].[Cl:22][c:23]1[cH:24][c:25]2[c:30]([cH:31][cH:32]1)[N:29]([CH:33]([C:34](=[O:35])[OH:36])[CH3:37])[CH2:28][CH2:27][CH2:26]2.[N:1]1([c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]3[n:18][cH:19][n:20][s:21]3)[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:66].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[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>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]3[n:18][cH:19][n:20][s:21]3)[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([C:34]([CH:33]([N:29]2[CH2:28][CH2:27][CH2:26][c:25]3[cH:24][c:23]([Cl:22])[cH:32][cH:31][c:30]32)[CH3:37])=[O:35])[CH2:5][CH2:6]1