Hydrochloric Acid → HCID 178520837, compound

HRID 1567816Notes

Reaction equation

HRID 1567816 reaction equation
[C:63]([OH:64])([CH3:65])([CH3:66])[CH3:67].[CH2:35]1[CH2:36][O:37][CH2:38][CH2:39][NH:40]1.[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH:1]1([CH:4]([C:5](=[O:6])[N:7]2[CH:8]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH:9]=[C:10]([c:12]3[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[CH2:11]2)[NH:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[CH2:2][CH2:3]1.[ClH:41].[Na+:34].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH-:33].[OH:53][n:54]1[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH:1]1([CH:4]([C:5](=[O:6])[N:7]2[CH:8]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH:9]=[C:10]([c:12]3[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[CH2:11]2)[NH:26][CH2:27][CH2:28][C:29](=[O:30])[N:40]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[CH2:2][CH2:3]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 6386tert-ButanolHCID 8083MorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 178500809methyl 3-[[1-cyclopropyl-2-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-oxoethyl]amino]propanoate

Product 1

HCID 178520837HCID 178520837, compound

Sources & evidence

ORD record
ord-440f9a23d00e493e9a0f78ff5001e820
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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