HRID134977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19509

2-Pyridinemethanamine

C6H8N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：O=C(O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1

HCID59216330

4-[3-(1-Quinolin-6-ylcyclopropyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoic acid

C23H16N6O2

PRODUCTS

生成物

结构：O=C(NCc1ccccn1)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1

HCID24830624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-422d41b59ff641268e61c7a9f3592ade
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

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