Tetrahydrofuran → N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2,2-dimethylcyclopropane-1-carboxamide

HRID 935588

反応式

HRID 935588 の反応式
[C:9]([c:10]1[nH:11][cH:12][cH:13][n:14]1)([c:15]1[nH:16][cH:17][cH:18][n:19]1)=[O:20].[CH2:21]1[CH2:22][CH2:23][C:24]2=[N:29][CH2:28][CH2:27][CH2:26][N:25]2[CH2:30][CH2:31]1.[CH2:32]([CH2:33][CH2:34][CH3:35])[c:36]1[n:37]([CH2:52][c:53]2[cH:54][cH:55][c:56](-[c:59]3[c:60]([S:65]([NH2:66])(=[O:67])=[O:68])[cH:61][cH:62][cH:63][cH:64]3)[cH:57][cH:58]2)[c:38](=[O:51])[n:39](-[c:41]2[c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][cH:44][cH:45][cH:46]2)[n:40]1.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:1][C:2]1([CH3:8])[CH:3]([C:5](=[O:6])[OH:7])[CH2:4]1>>[CH3:1][C:2]1([CH3:8])[CH:3]([C:5](=[O:6])[NH:66][S:65]([c:60]2[c:59](-[c:56]3[cH:55][cH:54][c:53]([CH2:52][n:37]4[c:36]([CH2:32][CH2:33][CH2:34][CH3:35])[n:40][n:39](-[c:41]5[c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][cH:44][cH:45][cH:46]5)[c:38]4=[O:51])[cH:58][cH:57]3)[cH:64][cH:63][cH:62][cH:61]2)(=[O:67])=[O:68])[CH2:4]1

参加物

6

反応物 5

HCID 8028TetrahydrofuranHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 2607082,2-Dimethylcyclopropane-1-carboxylic acidHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 103469025-n-Butyl-2,4-dihydro-4-[(2'-sulfamoylbiphenyl-4-yl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

生成物 1

HCID 19939398N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2,2-dimethylcyclopropane-1-carboxamide

出典と根拠

ORDレコード
ord-7126ae4233a4403f9373343cb12c5d1d
出典データセット
Validation data from https://doi.org/10.1039/C8SC04228D

関連ノート

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