Hydrochloric Acid → 3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl}-4-methyl-N-(phenylmethyl)benzamide

HRID 148497Notes

Reaction equation

HRID 148497 reaction equation
[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Cl:49][CH2:50][Cl:51].[ClH:40].[ClH:41].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:39])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:36]([CH3:37])=[O:38])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33][c:34]2[CH3:35])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:66].[OH-:65].[nH:42]1[c:43]([CH2:47][NH2:48])[n:44][cH:45][cH:46]1>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:39])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:48][CH2:47][c:43]2[nH:42][cH:46][cH:45][n:44]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33][c:34]2[CH3:35])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 13820412-aminomethyl-1H-imidazoleHCID 592127113-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(phenylmethyl)benzamide

Product 1

HCID 119481783-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl}-4-methyl-N-(phenylmethyl)benzamide

Sources & evidence

ORD record
ord-056c5652ccb04ffe8519fdfe6ea17325
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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