Acetic Acid → HCID 178475135, compound

HRID 315907Notes

Reaction equation

HRID 315907 reaction equation
[CH3:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1.[CH3:1][C:2]([OH:3])=[O:4].[CH3:20][n:21]1[cH:22][c:23]2[c:36]3[c:31]([cH:32][cH:33][cH:34][c:35]13)[CH:30]1[CH:25]([CH2:24]2)[N:26]([CH3:40])[CH2:27][CH:28]([CH2:37][NH:38][NH2:39])[CH2:29]1.[CH3:41][C:42]#[N:43].[Cl:5][C:6]([O:7][CH2:8][CH:9]([CH3:10])[CH3:11])=[O:12]>>[CH3:1][C:2](=[O:4])[NH:39][NH:38][CH2:37][CH:28]1[CH2:27][N:26]([CH3:40])[CH:25]2[CH2:24][c:23]3[cH:22][n:21]([CH3:20])[c:35]4[cH:34][cH:33][cH:32][c:31]([c:36]34)[CH:30]2[CH2:29]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 178480487HCID 178480487, compound

Product 1

HCID 178475135HCID 178475135, compound

Sources & evidence

ORD record
ord-4f0b31f8065543d1ad35340bfae22f64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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