Dimethylformamide → tert-butyl N-[1-(3,5-difluorophenyl)-4-[(1,1-dimethyl-6-propan-2-yloxy-3,4-dihydroisochromen-4-yl)amino]-3-hydroxybutan-2-yl]carbamate

HRID 183288

Reaction equation

HRID 183288 reaction equation
[Br:1][CH:2]1[CH2:3][O:4][C:5]([CH3:16])([CH3:17])[c:6]2[cH:7][cH:8][c:9]([O:12][CH:13]([CH3:14])[CH3:15])[cH:10][c:11]21.[C:18](=[O:19])([O-:20])[O-:21].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cs+:22].[Cs+:23].[NH2:24][CH2:25][CH:26]([CH:27]([CH2:28][c:29]1[cH:30][c:31]([F:36])[cH:32][c:33]([F:35])[cH:34]1)[NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[OH:45]>>[CH:2]1([NH:24][CH2:25][CH:26]([CH:27]([CH2:28][c:29]2[cH:30][c:31]([F:36])[cH:32][c:33]([F:35])[cH:34]2)[NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[OH:45])[CH2:3][O:4][C:5]([CH3:16])([CH3:17])[c:6]2[cH:7][cH:8][c:9]([O:12][CH:13]([CH3:14])[CH3:15])[cH:10][c:11]21

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 589092714-bromo-6-isopropoxy-1,1-dimethyl-3,4-dihydro-1H-isochromeneHCID 60043799tert-butyl N-[4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

Product 1

HCID 60043812tert-butyl N-[1-(3,5-difluorophenyl)-4-[(1,1-dimethyl-6-propan-2-yloxy-3,4-dihydroisochromen-4-yl)amino]-3-hydroxybutan-2-yl]carbamate

Sources & evidence

ORD record
ord-4d31abefd147486eafe4cf45d4364e7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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