Acetic Acid → HCID 18983845, compound

HRID 179290Notes

Reaction equation

HRID 179290 reaction equation
[CH2:4]=[O:5].[CH3:1][C:2]#[N:3].[CH3:37][C:38](=[O:39])[OH:40].[CH3:6][NH:7][CH3:8].[c:9]1(-[c:15]2[n:16][c:17]3[n:18]([cH:19][cH:20][cH:21][c:22]3[C:23](=[O:24])[NH:25][CH:26]([C:27]#[N:28])[c:29]3[cH:30][c:31]([F:35])[cH:32][cH:33][cH:34]3)[cH:36]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH2:1]([N:7]([CH3:6])[CH3:8])[c:36]1[c:15](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:16][c:17]2[n:18]1[cH:19][cH:20][cH:21][c:22]2[C:23](=[O:24])[NH:25][CH:26]([C:27]#[N:28])[c:29]1[cH:30][c:31]([F:35])[cH:32][cH:33][cH:34]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 674DimethylamineHCID 712FormaldehydeHCID 6342AcetonitrileHCID 18983855HCID 18983855, compound

Product 1

HCID 18983845HCID 18983845, compound

Sources & evidence

ORD record
ord-128750dc9d5d41b48784abfcee1181e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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