HRID1213972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID57908161

2-(1,1-Dimethylethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine

C11H15N3

PRODUCTS

生成物

结构：CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ncc2[nH]1

HCID57908155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-302587d8a57f446694f9a31d12e4f785
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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