Acetic Acid → HCID 25215195, compound

HRID 684871Notes

Reaction equation

[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([CH:33]([CH3:34])[CH3:35])[c:10](=[O:32])[nH:11][c:12](=[O:31])[n:13]2[CH2:14][C:15]2([CH2:18][C:19](=[O:20])[NH:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([O:27][CH3:28])[cH:29][cH:30]3)[CH2:16][CH2:17]2)[cH:36][c:37]([CH3:39])[cH:38]1.[CH3:46][C:47]#[N:48].[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[NH4+:40].[O-:41][N+:42](=[O:43])[O-:44].[OH2:45]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([CH:33]([CH3:34])[CH3:35])[c:10](=[O:32])[nH:11][c:12](=[O:31])[n:13]2[CH2:14][C:15]2([CH2:18][C:19](=[O:20])[NH2:21])[CH2:16][CH2:17]2)[cH:36][c:37]([CH3:39])[cH:38]1

Participants

Reactant 7

HCID 6342Acetonitrile

HCID 8857Ethyl Acetate

HCID 582034682-{1-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-cyclopropyl}-N-(4-methoxy-benzyl)-acetamide

Product 1

HCID 25215195HCID 25215195, compound

Sources & evidence

ORD record: ord-b1c12f5173f44cbfad74a985e86a8a09
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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