Acetic Acid → HCID 67754127, compound

HRID 693043Notes

Reaction equation

HRID 693043 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]([O:27][CH:28]3[CH:29]=[CH:30][CH:31]([O:33][CH:34]4[CH2:35][CH2:36][CH2:37][CH2:38][O:39]4)[CH2:32]3)[n:26]2)[CH2:15][CH2:16]1.[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]([O:27][CH:28]3[CH:29]=[CH:30][CH:31]([OH:33])[CH2:32]3)[n:26]2)[CH2:15][CH2:16]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 178525153HCID 178525153, compound

Product 1

HCID 67754127HCID 67754127, compound

Sources & evidence

ORD record
ord-541ea7482a2f4d93a72b9adc5e900c03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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