HRID157492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：CC(C)N1CCC(Oc2ccc(C3(C(=O)O)CCOCC3)cc2)CC1

HCID59837453

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)C1(c2ccc(OC3CCN(C(C)C)CC3)cc2)CCOCC1

HCID11689911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b14f7212c97c4326b898fc9b4958642d
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

[CH2:26]([CH3:27])[NH:28][CH2:29][CH3:30].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([O:10][c:11]2[cH:12][cH:13][c:14]([C:17]3([C:23](=[O:24])[OH:25])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:8][CH2:9]1.[OH2:66].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([O:10][c:11]2[cH:12][cH:13][c:14]([C:17]3([C:23](=[O:24])[N:28]([CH2:26][CH3:27])[CH2:29][CH3:30])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:8][CH2:9]1