HRID1206970

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

HCID57358853

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccccn2)cn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

HCID44612079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4527978ee60d4d5188c443ffb88d223b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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: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:20]1[c:21](-[c:26]2[cH:27][n:28][c:29]([C:32](=[O:33])[OH:34])[cH:30][cH:31]2)[cH:22][cH:23][cH:24][cH:25]1.[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[n:28][cH:27][c:26](-[c:21]4[n:20][cH:25][cH:24][cH:23][cH:22]4)[cH:31][cH:30]3)=[O:33])[CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19]