HRID2126654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID103787

6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-

C10H19N

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：CC1(C)CC2CC(C)(CN2C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)C1

HCID59542553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b90b05b5a2f432484e14c7899e46928
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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].[CH3:29][C:30]12[CH2:31][C:32]([CH3:38])([CH3:39])[CH2:33][CH:34]([NH:35][CH2:36]1)[CH2:37]2.[CH3:64][C:65]#[N:66].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]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:35]3[CH:34]4[CH2:33][C:32]([CH3:38])([CH3:39])[CH2:31][C:30]([CH3:29])([CH2:36]3)[CH2:37]4)[cH:18]2)[CH2:12][CH2:13]1