Hydrochloric Acid → 6-(3,4-Difluorophenyl)-1,6-dihydro-5-(3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylaminocarbonyl)-1-methoxymethyl-2,4-dimethylpyrimidine

HRID 190845Notes

Reaction equation

HRID 190845 reaction equation
[C:1](=[O:2])([OH:3])[C:4]1=[C:5]([CH3:22])[N:6]=[C:7]([CH3:21])[N:8]([CH2:18][O:19][CH3:20])[CH:9]1[c:10]1[cH:11][c:12]([F:17])[c:13]([F:16])[cH:14][cH:15]1.[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:35][O:36][C:37](=[O:38])[C:39]1([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH2:40][CH2:41][N:42]([CH2:45][CH2:46][CH2:47][NH2:48])[CH2:43][CH2:44]1.[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[Cl:64][CH2:65][Cl:66].[ClH:23]>>[C:1](=[O:3])([C:4]1=[C:5]([CH3:22])[N:6]=[C:7]([CH3:21])[N:8]([CH2:18][O:19][CH3:20])[CH:9]1[c:10]1[cH:11][c:12]([F:17])[c:13]([F:16])[cH:14][cH:15]1)[NH:48][CH2:47][CH2:46][CH2:45][N:42]1[CH2:41][CH2:40][C:39]([C:37]([O:36][CH3:35])=[O:38])([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH2:44][CH2:43]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 106838831-(3-Aminopropyl)-4-methoxycarbonyl-4-phenylpiperidineHCID 227251935-Carboxy-6-(3,4-difluoro-phenyl)-1,6-dihydro-1-methoxymethyl-2,4-dimethylpyrimidine

Product 1

HCID 227252176-(3,4-Difluorophenyl)-1,6-dihydro-5-(3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylaminocarbonyl)-1-methoxymethyl-2,4-dimethylpyrimidine

Sources & evidence

ORD record
ord-ffa7888dd7e34bd49338ec6c9a7c1865
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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