Hydrochloric Acid → Hydrochloric Acid

HRID 2327815Notes

Reaction equation

HRID 2327815 reaction equation
[CH3:15][NH:16][CH2:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[c:27]1[CH2:28][CH2:29][CH3:30].[ClH:31].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:12][NH:13][CH3:14])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[O:32]1[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][N:40]2[C:41](=[O:55])[NH:42][c:43]3[c:44]([cH:46][c:47]([CH:50]=[CH:51][C:52](=[O:53])[OH:54])[cH:48][n:49]3)[CH2:45]2)[CH2:36][CH2:37]1>>[ClH:31].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:12][N:13]([CH3:14])[C:52]([CH:51]=[CH:50][c:47]2[cH:46][c:44]3[c:43]([n:49][cH:48]2)[NH:42][C:41](=[O:55])[N:40]([CH2:39][CH2:38][N:35]2[CH2:34][CH2:33][O:32][CH2:37][CH2:36]2)[CH2:45]3)=[O:54])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 149867704-Fluoro-naphthalen-1-ylmethyl-methylamineHCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 669675133-[3-(2-Morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid

Product 2

HCID 313Hydrochloric AcidHCID 66967569N-[(4-fluoronaphthalen-1-yl)methyl]-N-methyl-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide

Sources & evidence

ORD record
ord-4fcb9ed2488e4c3d9e1770a107d155df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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