Hydrochloric Acid → 6-cyano-4-oxo-N-[[3-[[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]methyl]phenyl]methyl]-1H-quinazoline-2-carboxamide

HRID 103549Notes

Reaction equation

HRID 103549 reaction equation
[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[ClH:1].[ClH:45].[NH2:2][CH2:3][c:4]1[cH:5][c:6]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[n:15][c:16]3[cH:17][cH:18][c:19]([C:25]#[N:26])[cH:20][c:21]3[c:22](=[O:24])[nH:23]2)[cH:7][cH:8][cH:9]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1.[nH:27]1[n:28][c:29]([CH2:32][C:33](=[O:34])[OH:35])[n:30][cH:31]1>>[NH:2]([CH2:3][c:4]1[cH:5][c:6]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[n:15][c:16]3[cH:17][cH:18][c:19]([C:25]#[N:26])[cH:20][c:21]3[c:22](=[O:24])[nH:23]2)[cH:7][cH:8][cH:9]1)[C:33]([CH2:32][c:29]1[n:28][nH:27][cH:31][n:30]1)=[O:34]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 136054502N-[[3-(aminomethyl)phenyl]methyl]-6-cyano-4-oxo-3H-quinazoline-2-carboxamideHCID 1785252442-(1H-1,2,4-triazol-3-yl)acetic acid

Product 1

HCID 1785094956-cyano-4-oxo-N-[[3-[[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]methyl]phenyl]methyl]-1H-quinazoline-2-carboxamide

Sources & evidence

ORD record
ord-9de3c9f11f92440298779b3e4f6e948f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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