Acetate → 6-benzylamino-2-(4-tert-butoxycarbonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

HRID 1238440Notes

Reaction equation

HRID 1238440 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[CH3:8][O:9][C:10](=[O:11])[c:12]1[n:13]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:35][cH:36]2)[c:14](=[O:29])[c:15]2[cH:16][cH:17][c:18]([Br:28])[cH:19][c:20]2[c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[NH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Na+:57].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:67].[Pd+2:58]>>[CH3:8][O:9][C:10](=[O:11])[c:12]1[n:13]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:35][cH:36]2)[c:14](=[O:29])[c:15]2[cH:16][cH:17][c:18]([NH:44][CH2:45][c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:19][c:20]2[c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7504BenzylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 691566226-bromo-2-(4-tert-butoxycarbonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

Product 1

HCID 691573446-benzylamino-2-(4-tert-butoxycarbonylbenzyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

Sources & evidence

ORD record
ord-2c1e506bf5d14c83a98a43490d1c4ed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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