Acetic Acid → HCID 73445650, compound

HRID 680161Notes

Reaction equation

HRID 680161 reaction equation
[CH2:14]([CH:15]([CH3:16])[CH3:17])[c:18]1[cH:19][c:20](-[c:29]2[cH:30][c:31]([CH:32]=[O:33])[cH:34][cH:35][c:36]2[O:37][C:38]([F:39])([F:40])[F:41])[c:21]2[c:22]([cH:28]1)[C:23]([CH3:26])([CH3:27])[CH2:24][O:25]2.[CH2:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[S:42]1[C:43](=[O:48])[NH:44][C:45](=[O:47])[CH2:46]1>>[CH2:14]([CH:15]([CH3:16])[CH3:17])[c:18]1[cH:19][c:20](-[c:29]2[cH:30][c:31]([CH:32]=[C:46]3[S:42][C:43](=[O:48])[NH:44][C:45]3=[O:47])[cH:34][cH:35][c:36]2[O:37][C:38]([F:39])([F:40])[F:41])[c:21]2[c:22]([cH:28]1)[C:23]([CH3:26])([CH3:27])[CH2:24][O:25]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 22041381HCID 22041381, compound

Product 1

HCID 73445650HCID 73445650, compound

Sources & evidence

ORD record
ord-69aa8d0b8e9042578f5448872d2f5d8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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