Acetic Acid → HCID 54551481, compound

HRID 140178Notes

Reaction equation

HRID 140178 reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:7][C:8](=[O:9])[OH:10].[N+:11](=[O:12])([O-:13])[c:14]1[cH:15][c:16]([S:20](=[O:21])(=[O:22])[O:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([CH:39]=[O:40])[cH:37][cH:38]3)[cH:28][cH:29]2)[cH:17][cH:18][cH:19]1.[OH2:48].[S:41]1[C:42](=[O:47])[NH:43][C:44](=[O:46])[CH2:45]1>>[N+:11](=[O:12])([O-:13])[c:14]1[cH:15][c:16]([S:20](=[O:21])(=[O:22])[O:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([CH:39]=[C:45]4[S:41][C:42](=[O:47])[NH:43][C:44]4=[O:46])[cH:37][cH:38]3)[cH:28][cH:29]2)[cH:17][cH:18][cH:19]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 21704983HCID 21704983, compound

Product 1

HCID 54551481HCID 54551481, compound

Sources & evidence

ORD record
ord-4eb2dc6b9900451e82a4adc34465be39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…