Hydrochloric Acid → 1-Ethyl-3-(4-(4-morpholino-7-(pyrimidine-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea

HRID 203869Notes

Reaction equation

HRID 203869 reaction equation
[CH2:47]([CH3:48])[NH:49][C:50](=[O:51])[NH:52][c:53]1[cH:54][cH:55][c:56](-[c:59]2[n:60][c:61]([N:69]3[CH2:70][CH2:71][O:72][CH2:73][CH2:74]3)[c:62]3[c:63]([n:64]2)[CH2:65][NH:66][CH2:67][CH2:68]3)[cH:57][cH:58]1.[CH3:11][N:12]([CH3:13])[CH:14]=[O:15].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:26].[Na+:10].[OH:16][n:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[n:24][n:25]1.[n:1]1[c:2]([C:7](=[O:8])[O-:9])[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([C:7](=[O:9])[N:66]2[CH2:65][c:63]3[c:62]([c:61]([N:69]4[CH2:70][CH2:71][O:72][CH2:73][CH2:74]4)[n:60][c:59](-[c:56]4[cH:55][cH:54][c:53]([NH:52][C:50]([NH:49][CH2:47][CH3:48])=[O:51])[cH:58][cH:57]4)[n:64]3)[CH2:68][CH2:67]2)[n:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 40428945Pyrimidine-2-carboxylic acid sodiumHCID 469130711-Ethyl-3-(4-(4-morpholino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl) phenyl)urea

Product 1

HCID 592395521-Ethyl-3-(4-(4-morpholino-7-(pyrimidine-2-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea

Sources & evidence

ORD record
ord-1ef117f07074460d95bc94fe3240e040
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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