HRID677092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID76559

Pyrazole-3,5-dicarboxylic acid monohydrate

C5H4N2O4

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：NC(Cc1ccc(-c2ccccc2)cc1)CC1(C(=O)O)CC1

HCID68180842

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(-c2ccccc2)cc1)CC1(C(=O)O)CC1)c1cc(C(=O)O)[nH]n1

HCID178523125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8482945d184240518c5a55bf71af9ae4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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