Hydrochloric Acid → 3-methoxymethyl-1-{2-oxo-2-[4-(4-pyrimidin-2-yl-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-3-carboxylic acid [3-(4-fluoro-phenyl)-1H-indazol-5-yl]-amide

HRID 203522Notes

Reaction equation

HRID 203522 reaction equation
[CH3:1][O:2][CH2:3][C:4]1([C:30](=[O:31])[OH:32])[CH2:5][N:6]([CH2:9][C:10]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20](-[c:23]4[n:24][cH:25][cH:26][cH:27][n:28]4)[cH:21][cH:22]3)[CH2:15][CH2:16]2)=[O:29])[CH2:7][CH2:8]1.[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[ClH:43].[F:55][c:56]1[cH:57][cH:58][c:59](-[c:62]2[n:63][nH:64][c:65]3[cH:66][cH:67][c:68]([NH2:71])[cH:69][c:70]23)[cH:60][cH:61]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:1][O:2][CH2:3][C:4]1([C:30](=[O:31])[NH:71][c:68]2[cH:67][cH:66][c:65]3[nH:64][n:63][c:62](-[c:59]4[cH:58][cH:57][c:56]([F:55])[cH:61][cH:60]4)[c:70]3[cH:69]2)[CH2:5][N:6]([CH2:9][C:10]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20](-[c:23]4[n:24][cH:25][cH:26][cH:27][n:28]4)[cH:21][cH:22]3)[CH2:15][CH2:16]2)=[O:29])[CH2:7][CH2:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 224802843-(4-fluorophenyl)-1H-indazol-5-amineHCID 595113503-Methoxymethyl-1-{2-oxo-2-[4-(4-pyrimidin-2-yl-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-3-carboxylic acid

Product 1

HCID 576857353-methoxymethyl-1-{2-oxo-2-[4-(4-pyrimidin-2-yl-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-3-carboxylic acid [3-(4-fluoro-phenyl)-1H-indazol-5-yl]-amide

Sources & evidence

ORD record
ord-c9d43a7f768d44c7a722461624c87532
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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