Sodium ion → methyl 6-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]naphthalene-2-carboxylate

HRID 1147824Notes

Reaction equation

HRID 1147824 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH:19]([OH:20])[c:21]2[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:6][cH:7]1.[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][c:38]3[cH:39][cH:40][c:41]([C:46](=[O:47])[O:48][CH3:49])[cH:42][c:43]3[cH:44][cH:45]2)[O:50]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:57]>>[c:2]1(-[c:36]2[cH:37][c:38]3[cH:39][cH:40][c:41]([C:46](=[O:47])[O:48][CH3:49])[cH:42][c:43]3[cH:44][cH:45]2)[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH:19]([OH:20])[c:21]2[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 22171556tert-butyl N-[2-(4-bromophenyl)ethyl]-N-[2-(3-chlorophenyl)-2-hydroxyethyl]carbamateHCID 53217133Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate

Product 1

HCID 178497254methyl 6-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]naphthalene-2-carboxylate

Sources & evidence

ORD record
ord-d266d954b61046f7a4d81520c686b394
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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