4-Amino-2-chlorobenzonitrile → N-(3-chloro-4-cyanophenyl)-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 184748

Reaction equation

HRID 184748 reaction equation
[CH3:11][Al:12]([CH3:13])[CH3:14].[F:15][c:16]1[c:17]([C:23]([CH:24]([CH3:25])[S:26][CH:27]2[CH2:28][O:29][CH:30]([c:33]3[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]3)[O:31][CH2:32]2)([CH2:43][n:44]2[n:45][cH:46][n:47][cH:48]2)[OH:49])[cH:18][cH:19][c:20]([F:22])[cH:21]1.[NH2:1][c:2]1[cH:3][c:4]([Cl:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[NH:1]([c:2]1[cH:3][c:4]([Cl:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1)[C:37]([c:36]1[cH:35][cH:34][c:33]([CH:30]2[O:29][CH2:28][CH:27]([S:26][CH:24]([C:23]([c:17]3[c:16]([F:15])[cH:21][c:20]([F:22])[cH:19][cH:18]3)([CH2:43][n:44]3[n:45][cH:46][n:47][cH:48]3)[OH:49])[CH3:25])[CH2:32][O:31]2)[cH:42][cH:41]1)=[O:38]

Participants

4

Reactant 3

HCID 887284-Amino-2-chlorobenzonitrileHCID 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 18766348N-(3-chloro-4-cyanophenyl)-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-cc1c0f88a4014efb92ec55a83d9b3c1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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