Acetic Acid → HCID 59752297, compound

HRID 687516Notes

Reaction equation

[C:45]([OH:46])(=[O:47])[CH3:48].[CH2:1]([O:2][C:9](=[O:3])[N:11]1[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([C:19](=[O:20])[CH:21]2[CH2:22][CH2:23][CH:24]([CH3:27])[CH2:25][CH2:26]2)[c:28]2[c:29]([C:39](=[O:40])[O:41][CH3:42])[s:30][c:31](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:32]2)[CH2:15][CH2:16]1)[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:10]1.[CH2:43]=[O:44].[CH3:49][OH:50]>>[CH3:9][N:11]1[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([C:19](=[O:20])[CH:21]2[CH2:22][CH2:23][CH:24]([CH3:27])[CH2:25][CH2:26]2)[c:28]2[c:29]([C:39](=[O:40])[O:41][CH3:42])[s:30][c:31](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:32]2)[CH2:15][CH2:16]1

Participants

Reactant 4

HCID 176Acetic Acid

HCID 712Formaldehyde

HCID 887Methanol

HCID 597523324-{[(2-Methoxycarbonyl-5-phenyl-thiophen-3-yl)-(4-methyl-cyclohexanecarbonyl)-amino]-methyl}-piperidine-1-carboxylic acid benzyl ester

Product 1

HCID 59752297HCID 59752297, compound

Sources & evidence

ORD record: ord-528e8683212948b9bfbce64b4f8d2cc1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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