Benzoic Acid → HCID 54132072, compound

HRID 211544Notes

Reaction equation

HRID 211544 reaction equation
[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[OH:42][C:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50].[S:29]1[C:30](=[O:35])[NH:31][C:32](=[O:34])[CH2:33]1.[s:1]1[c:2]([N:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([N:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH:25]=[C:33]3[S:29][C:30](=[O:35])[NH:31][C:32]3=[O:34])[cH:27][cH:28]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 10068863HCID 10068863, compound

Product 1

HCID 54132072HCID 54132072, compound

Sources & evidence

ORD record
ord-032e35cddb3944cba910c5555274c8be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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