Hydrochloric Acid → {1-[2-(2-Chloro-benzylamino)-pyrido[4,3-d]pyrimidin-5-yl]-piperidin-4-yl}-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone

HRID 1144713Notes

Reaction equation

HRID 1144713 reaction equation
[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[Cl:1][c:2]1[c:3]([CH2:4][NH:5][c:6]2[n:7][cH:8][c:9]3[c:10]([n:11]2)[cH:12][cH:13][n:14][c:15]3[N:16]2[CH2:17][CH2:18][CH:19]([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2)[cH:25][cH:26][cH:27][cH:28]1.[ClH:66].[N:29]1([CH2:35][CH2:36][OH:37])[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:45][c:46]1[c:47]2[n:48][n:49][nH:50][c:51]2[cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][c:6]2[n:7][cH:8][c:9]3[c:10]([n:11]2)[cH:12][cH:13][n:14][c:15]3[N:16]2[CH2:17][CH2:18][CH:19]([C:22](=[O:24])[N:32]3[CH2:31][CH2:30][N:29]([CH2:35][CH2:36][OH:37])[CH2:34][CH2:33]3)[CH2:20][CH2:21]2)[cH:25][cH:26][cH:27][cH:28]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 76771-(2-Hydroxyethyl)piperazineHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 208551921-[2-(2-Chloro-benzylamino)-pyrido[4,3-d]pyrimidin-5-yl]-piperidine-4-carboxylic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 58450175{1-[2-(2-Chloro-benzylamino)-pyrido[4,3-d]pyrimidin-5-yl]-piperidin-4-yl}-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone

Sources & evidence

ORD record
ord-933d95e43cf84e7797dae22d073ff216
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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