Acetic Acid → HCID 11855214, compound

HRID 295652Notes

Reaction equation

HRID 295652 reaction equation
[CH2:1]=[O:2].[CH2:3]([CH2:4][CH2:5][CH3:6])[NH:7][CH3:8].[CH3:41][C:42](=[O:43])[OH:44].[Cl:9][c:10]1[c:11]([N:30]2[CH2:31][CH2:32][CH:33]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:34][CH2:35]2)[n:12][cH:13][c:14]([C:16]([NH:17][c:18]2[s:19][cH:20][c:21](-[c:23]3[s:24][cH:25][c:26]([Cl:28])[cH:27]3)[n:22]2)=[O:29])[cH:15]1>>[CH2:1]([N:7]([CH2:3][CH2:4][CH2:5][CH3:6])[CH3:8])[c:20]1[s:19][c:18]([NH:17][C:16]([c:14]2[cH:13][n:12][c:11]([N:30]3[CH2:31][CH2:32][CH:33]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:34][CH2:35]3)[c:10]([Cl:9])[cH:15]2)=[O:29])[n:22][c:21]1-[c:23]1[s:24][cH:25][c:26]([Cl:28])[cH:27]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 712FormaldehydeHCID 8068N-MethylbutylamineHCID 23117190HCID 23117190, compound

Product 1

HCID 11855214HCID 11855214, compound

Sources & evidence

ORD record
ord-bed769c88d6b4979a7d87b5391c3edb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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