Benzoic Acid → HCID 86589683, compound

HRID 664381Notes

Reaction equation

HRID 664381 reaction equation
[CH2:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH3:1][c:2]1[cH:3][c:4]([CH:9]=[C:10]([C:11](=[O:12])[OH:13])[c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][c:24]([CH:27]=[O:28])[cH:25][cH:26]3)[cH:18][cH:19]2)[cH:5][c:6]([CH3:8])[cH:7]1.[OH:36][C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44].[S:29]1[C:30](=[O:35])[NH:31][C:32](=[O:34])[CH2:33]1>>[CH3:1][c:2]1[cH:3][c:4]([CH:9]=[C:10]([C:11](=[O:12])[OH:13])[c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][c:24]([CH:27]=[C:33]4[S:29][C:30](=[O:35])[NH:31][C:32]4=[O:34])[cH:25][cH:26]3)[cH:18][cH:19]2)[cH:5][c:6]([CH3:8])[cH:7]1

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 72556534HCID 72556534, compound

Product 1

HCID 86589683HCID 86589683, compound

Sources & evidence

ORD record
ord-3f79356b21114fe283403cbb0bc83a3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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