Acetic Acid → HCID 69681269, compound

HRID 2310214Notes

Reaction equation

HRID 2310214 reaction equation
[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][CH2:27][CH:28]([OH:29])[c:30]3[cH:31][c:32]([F:44])[c:33]([O:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[cH:34][cH:35]3)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][CH2:27][CH:28]([OH:29])[c:30]3[cH:31][c:32]([F:44])[c:33]([OH:36])[cH:34][cH:35]3)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 178527330HCID 178527330, compound

Product 1

HCID 69681269HCID 69681269, compound

Sources & evidence

ORD record
ord-fe971f9b7c4e46a98fd1cab28af3fe21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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