Acetic Acid → HCID 77933883, compound

HRID 153680Notes

Reaction equation

HRID 153680 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([n:12][c:13]([NH:22][NH2:23])[cH:14][c:15]3[N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:24]2)[cH:6][n:7]1.[CH3:25][C:26](=[O:27])[OH:28].[CH3:38][CH2:39][OH:40].[c:29]1([CH3:37])[cH:30][c:31]([CH:35]=[O:36])[cH:32][cH:33][cH:34]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([n:12][c:13]([NH:22][N:23]=[CH:35][c:31]4[cH:30][c:29]([CH3:37])[cH:34][cH:33][cH:32]4)[cH:14][c:15]3[N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:24]2)[cH:6][n:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 121053-MethylbenzaldehydeHCID 70999566HCID 70999566, compound

Product 1

HCID 77933883HCID 77933883, compound

Sources & evidence

ORD record
ord-f73d4b8153b4495cbd2cc8d40fa2204b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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