1,2-Benzenedicarbonitrile, 4-amino- → N-(3,4-dicyanophenyl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

HRID 1113347

반응식

HRID 1113347 반응식
[CH3:12][Al:13]([CH3:14])[CH3:15].[F:16][c:17]1[c:18]([C:24]([CH:25]([CH3:26])[S:27][CH:28]2[CH2:29][O:30][CH:31]([c:34]3[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]3)[O:32][CH2:33]2)([CH2:44][n:45]2[n:46][cH:47][n:48][cH:49]2)[OH:50])[cH:19][cH:20][c:21]([F:23])[cH:22]1.[NH2:1][c:2]1[cH:3][c:4]([C:10]#[N:11])[c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[NH:1]([c:2]1[cH:3][c:4]([C:10]#[N:11])[c:5]([C:6]#[N:7])[cH:8][cH:9]1)[C:38]([c:37]1[cH:36][cH:35][c:34]([CH:31]2[O:30][CH2:29][CH:28]([S:27][CH:25]([C:24]([c:18]3[c:17]([F:16])[cH:22][c:21]([F:23])[cH:20][cH:19]3)([CH2:44][n:45]3[n:46][cH:47][n:48][cH:49]3)[OH:50])[CH3:26])[CH2:33][O:32]2)[cH:43][cH:42]1)=[O:39]

참가 물질

4

반응물 3

HCID 925291,2-Benzenedicarbonitrile, 4-amino-HCID 16682925TrimethylaluminumHCID 178497608methyl 4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzoate

생성물 1

HCID 18766309N-(3,4-dicyanophenyl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

출처 및 근거

ORD 기록
ord-9fe011da359a43c0955af622c88fecff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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