Hydrochloric Acid → Hydrochloric Acid

HRID 183375Notes

Reaction equation

HRID 183375 reaction equation
[CH3:27][N:28]1[CH2:29][c:30]2[cH:31][c:32]([CH:33]=[CH:34][C:35]([OH:36])=[O:37])[cH:38][n:39][c:40]2[NH:41][C:42](=[O:43])[CH2:44]1.[CH3:45][NH:46][CH2:47][c:48]1[cH:49][cH:50][c:51]([CH3:58])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]12.[CH3:59][NH:60][CH2:61][c:62]1[cH:63][cH:64][c:65]2[c:66]([cH:67][cH:68][cH:69][cH:70]2)[c:71]1[CH2:72][CH2:73][CH3:74].[ClH:1].[ClH:26].[O:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:25])[NH:12][c:13]3[c:14]([cH:16][c:17]([CH:20]=[CH:21][C:22](=[O:23])[OH:24])[cH:18][n:19]3)[CH2:15]2)[CH2:6][CH2:7]1>>[ClH:1].[O:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:25])[NH:12][c:13]3[c:14]([cH:16][c:17]([CH:20]=[CH:21][C:22](=[O:23])[N:46]([CH3:45])[CH2:47][c:48]4[cH:49][cH:50][c:51]([CH3:58])[c:52]5[cH:53][cH:54][cH:55][cH:56][c:57]45)[cH:18][n:19]3)[CH2:15]2)[CH2:6][CH2:7]1

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 64430424Methyl((4-methylnaphthalen-1-yl)methyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acidHCID 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 66967388N-methyl-N-[(4-methylnaphthalen-1-yl)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-52ff16340671425d8795e2491b988246
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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