HRID1128065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID14118

2,3,4,9-tetrahydro-1H-carbazol-6-amine

C12H14N2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID14349608

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

C11H10O4

PRODUCTS

生成物

结构：O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)C1(c2ccc3c(c2)OCO3)CC1

HCID24763395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73412d80454649bdb9af26b9b4fbcaf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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