Acetic Acid → HCID 178418962, compound

HRID 2160230Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 702Ethanol

HCID 8079Cyclohexene

HCID 696527502-acetylamino-N-[2-[2-(1-benzyl-1H-imidazol-4-ylmethyl)-5-naphthalen-2-ylmethyl-3-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)-propionamide

Product 1

HCID 178418962HCID 178418962, compound

Sources & evidence

ORD record: ord-6f7251716d2e45788f5740d83b4d76ac
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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