Acetic Acid → HCID 75096360, compound

HRID 145762Notes

Reaction equation

HRID 145762 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH2:7][CH2:8][n:9]1[n:10][c:11]([NH:14][C:15](=[O:16])[CH:17]2[NH:18][CH:19]([CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[C:20]([C:29]#[N:30])([c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[CH:21]2[c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]2)[cH:12][cH:13]1)([CH3:5])([CH3:43])[CH3:44].[CH3:45][C:46](=[O:47])[OH:48].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[OH2:49]>>[OH:6][CH2:7][CH2:8][n:9]1[n:10][c:11]([NH:14][C:15](=[O:16])[CH:17]2[NH:18][CH:19]([CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[C:20]([C:29]#[N:30])([c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[CH:21]2[c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]2)[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 72272555HCID 72272555, compound

Product 1

HCID 75096360HCID 75096360, compound

Sources & evidence

ORD record
ord-dc9510db2fad492c90edd5bca4979732
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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