HRID140697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

HCID14349608

1-(2H-1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid

C11H10O4

HCID59129202

未命名化合物

PRODUCTS

产物

反应SMILES：CC(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1

HCID59129323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c5084a3fc601481bb658cf43945dd2d3
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

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