HRID672311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2554578

未命名化合物

HCID2776460

6-Morpholinonicotinic Acid

C10H12N2O3

PRODUCTS

生成物

结构：O=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

HCID26112102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c362c9028bc3498ab77ec3d6038dd1e3
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

[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19].[O:20]1[CH2:21][CH2:22][N:23]([c:26]2[cH:27][cH:28][c:29]([C:32](=[O:33])[OH:34])[cH:30][n:31]2)[CH2:24][CH2:25]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:45].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1.[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([C:32]([c:29]3[cH:28][cH:27][c:26]([N:23]4[CH2:22][CH2:21][O:20][CH2:25][CH2:24]4)[n:31][cH:30]3)=[O:33])[CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19]