Hydrochloric Acid → 2-{1-(4-Fluorobenzyl)-2-[2-methoxymethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-2-oxo-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 115156Notes

Reaction equation

HRID 115156 reaction equation
[C:39](=[O:40])([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[N:46]1[CH:47]([C:48](=[O:49])[OH:50])[CH2:51][CH2:52][CH2:53]1.[CH3:64][N:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[ClH:38].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH:6]([CH2:27][O:28][CH3:29])[CH2:7][N:8]([CH:11]([C:12](=[O:13])[NH:14][CH3:15])[CH2:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[cH:25][cH:26]2)[CH2:9][CH2:10]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH:6]([CH2:27][O:28][CH3:29])[CH2:7][N:8]([CH:11]([C:12](=[O:13])[NH:14][CH3:15])[CH2:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[cH:25][cH:26]2)[CH2:9][CH2:10]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]1)[C:48]([CH:47]1[N:46]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:53][CH2:52][CH2:51]1)=[O:49]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 2684721-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidHCID 219016252-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide

Product 1

HCID 695878592-{1-(4-Fluorobenzyl)-2-[2-methoxymethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-2-oxo-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-4e9bd1088a2b4f3d92d8554404e67f37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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