HRID290002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75645

Cyclobutanamine

C4H9N

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(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1

HCID67223330

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1

HCID25143838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a68f260d1074462858872d46ebee125
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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