HRID170418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID19960442

未命名化合物

反应SMILES：O=C(O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3

HCID21231111

未命名化合物

PRODUCTS

产物

反应SMILES：N#Cc1ccc(CN2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)CN(Cc3ccccc3)CC5)CC2)cc1

HCID44177406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b5899f59846f4ecca8234f71eb70b2fd
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:73](=[O:74])([OH:75])[O-:76].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([nH:12][c:13]3[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17][c:18]23)[CH2:22][CH2:23]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:48].[ClH:49].[NH2:50][CH:51]1[CH2:52][CH2:53][N:54]([CH2:57][c:58]2[cH:59][cH:60][c:61]([C:64]#[N:65])[cH:62][cH:63]2)[CH2:55][CH2:56]1.[Na+:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([nH:12][c:13]3[cH:14][cH:15][c:16]([C:19](=[O:20])[NH:50][CH:51]4[CH2:52][CH2:53][N:54]([CH2:57][c:58]5[cH:59][cH:60][c:61]([C:64]#[N:65])[cH:62][cH:63]5)[CH2:55][CH2:56]4)[cH:17][c:18]23)[CH2:22][CH2:23]1