HRID2329871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID92779

2-Hydroxy-4-methylpentanoic acid

C6H12O3

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

反应SMILES：Oc1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1

HCID136105362

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1

HCID136366761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a2d75f4c079e4b8a9e2608bf6f9c432c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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