HRID676314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

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+

HCID13601883

N,N~2~,N~2~-Trimethylglycinamide

C5H12N2O

结构：COC(=O)c1ccc2cc3n(c2c1)CC=Cc1ccccc1-3

HCID68832135

未命名化合物

PRODUCTS

生成物

HCID66639679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6235dd67d0fc44e9a99df458a11edfbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:23][N:24]([CH3:25])[CH2:26][C:27]([NH:28][CH3:29])=[O:30].[CH3:69][OH:70].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[ClH:57].[Na+:56].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH-:55].[OH2:63].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[n:9]([c:18]3[c:13]([cH:12]1)[cH:14][cH:15][c:16]([C:19](=[O:20])[O:21][CH3:22])[cH:17]3)[CH2:8][CH:7]=[CH:6]2.[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[n:9]([c:18]3[c:13]([cH:12]1)[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17]3)[CH2:8][CH:7]=[CH:6]2