4-Amino-2,3,5,6-tetrafluorobenzonitrile → N-(4-cyano-2,3,5,6-tetrafluorophenyl)-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 181092

Reaction equation

HRID 181092 reaction equation
[CH3:14][Al:15]([CH3:16])[CH3:17].[F:18][c:19]1[c:20]([C:26]([CH:27]([CH3:28])[S:29][CH:30]2[CH2:31][O:32][CH:33]([c:36]3[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]3)[O:34][CH2:35]2)([CH2:46][n:47]2[n:48][cH:49][n:50][cH:51]2)[OH:52])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[NH2:1][c:2]1[c:3]([F:13])[c:4]([F:12])[c:5]([C:6]#[N:7])[c:8]([F:11])[c:9]1[F:10]>>[NH:1]([c:2]1[c:3]([F:13])[c:4]([F:12])[c:5]([C:6]#[N:7])[c:8]([F:11])[c:9]1[F:10])[C:40]([c:39]1[cH:38][cH:37][c:36]([CH:33]2[O:32][CH2:31][CH:30]([S:29][CH:27]([C:26]([c:20]3[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]3)([CH2:46][n:47]3[n:48][cH:49][n:50][cH:51]3)[OH:52])[CH3:28])[CH2:35][O:34]2)[cH:45][cH:44]1)=[O:41]

Participants

4

Reactant 3

HCID 873224-Amino-2,3,5,6-tetrafluorobenzonitrileHCID 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

Product 1

HCID 18766390N-(4-cyano-2,3,5,6-tetrafluorophenyl)-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

Sources & evidence

ORD record
ord-40ff9d3ced734583a62ba6ea28abcd8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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