Methanol → 1,1-Dimethylethyl {[1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate

HRID 2312015Notes

Reaction equation

HRID 2312015 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10]1([OH:24])[CH2:11][N:12]([C:14]([O:16][CH2:15][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[CH2:13]1.[CH3:54][OH:55].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[F:34][c:35]1[c:36]([NH:45][c:46]2[c:47]([F:53])[cH:48][c:49]([I:52])[cH:50][cH:51]2)[c:37]([C:38]([F:39])=[O:40])[cH:41][cH:42][c:43]1[F:44]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10]1([OH:24])[CH2:11][N:12]([C:14](=[O:16])[c:37]2[c:36]([NH:45][c:46]3[c:47]([F:53])[cH:48][c:49]([I:52])[cH:50][cH:51]3)[c:35]([F:34])[c:43]([F:44])[cH:42][cH:41]2)[CH2:13]1

Participants

5

Reactant 4

HCID 887MethanolHCID 81531DiisopropylethylamineHCID 594691583,4-Difluoro-2-(2-fluoro-4-iodoanilino)benzoyl fluorideHCID 67051555Benzyl 3-({[(tert-butoxy)carbonyl]amino}methyl)-3-hydroxyazetidine-1-carboxylate

Product 1

HCID 685160531,1-Dimethylethyl {[1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate

Sources & evidence

ORD record
ord-ead93805d8994bad9f91e44e0fefe1ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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