Hydrochloric Acid → N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(1-propylnaphthalen-2-yl)methyl]prop-2-enamide

HRID 1555149Notes

Reaction equation

HRID 1555149 reaction equation
[CH3:20][NH:21][CH2:22][c:23]1[c:24]([CH2:33][CH2:34][CH3:35])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32]1.[CH3:2][N:3]1[CH2:4][C:5](=[O:19])[NH:6][c:7]2[c:8]([cH:10][c:11]([CH:14]=[CH:15][C:16](=[O:17])[OH:18])[cH:12][n:13]2)[CH2:9]1.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[ClH:1].[ClH:56].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:2][N:3]1[CH2:4][C:5](=[O:19])[NH:6][c:7]2[c:8]([cH:10][c:11]([CH:14]=[CH:15][C:16](=[O:18])[N:21]([CH3:20])[CH2:22][c:23]3[c:24]([CH2:33][CH2:34][CH3:35])[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[cH:31][cH:32]3)[cH:12][n:13]2)[CH2:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid

Product 1

HCID 66967392N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(1-propylnaphthalen-2-yl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-2023ba5332514c4d86e89518a7a19987
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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