Acetic Acid → HCID 66913780, compound

HRID 292232Notes

Reaction equation

HRID 292232 reaction equation
[C:40]([OH:41])(=[O:42])[CH3:43].[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:36]([F:37])([F:38])[F:39])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([C:24]#[C:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][C:33](=[O:34])[OH:35])[cH:30][cH:31]2)[cH:21][cH:22][cH:23]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:36]([F:37])([F:38])[F:39])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([CH2:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][C:33](=[O:34])[OH:35])[cH:30][cH:31]2)[cH:21][cH:22][cH:23]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 16040158HCID 16040158, compound

Product 1

HCID 66913780HCID 66913780, compound

Sources & evidence

ORD record
ord-f90e73f4603f4c75873966aa78bcb6aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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