Acetate → N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)-N-[(3-propan-2-yl-2-propoxyphenyl)methyl]prop-2-enamide

HRID 1574568Notes

Reaction equation

HRID 1574568 reaction equation
[Br:30][c:31]1[cH:32][c:33]2[c:34]([n:41][cH:42]1)[NH:35][C:36](=[O:40])[CH2:37][NH:38][CH2:39]2.[C:43](#[N:44])[CH2:45][CH3:46].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][CH2:19][CH3:20])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH2:11])=[O:12])[CH3:13])[cH:14][cH:15][cH:16]1.[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[Pd+2:53]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][CH2:19][CH3:20])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH:11][c:31]2[cH:32][c:33]3[c:34]([n:41][cH:42]2)[NH:35][C:36](=[O:40])[CH2:37][NH:38][CH2:39]3)=[O:12])[CH3:13])[cH:14][cH:15][cH:16]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7854PropionitrileHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59277555N-(3-Isopropyl-2-propoxybenzyl)-N-methylacrylamideHCID 594569547-Bromo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2(3H)-one

Product 1

HCID 66967223N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)-N-[(3-propan-2-yl-2-propoxyphenyl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-157a9f31e1a5488fae8b7feaa413bbe7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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