HRID172935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID92911

Quinoline, decahydro-

C9H17N

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)O)cs2)CC1

HCID59542480

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCCC43)cs2)CC1

HCID59542549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dde7c1b1f75e4771ae46f4b145ffabbd
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[cH:18]2)[CH2:12][CH2:13]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:63][C:64]#[N:65].[NH:29]1[CH2:30][CH2:31][CH2:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH:38]12.[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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[N:29]3[CH2:30][CH2:31][CH2:32][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][CH:38]34)[cH:18]2)[CH2:12][CH2:13]1