Acetate → HCID 86584085, compound

HRID 1539333Notes

Reaction equation

HRID 1539333 reaction equation
[C:30]([O-:31])(=[O:32])[CH3:33].[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][c:8]([Cl:22])[c:9]1[O:10][c:11]1[cH:12][c:13]([CH:19]([CH3:20])[CH3:21])[c:14]([O:17][CH3:18])[cH:15][cH:16]1.[NH2+:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[S:23]1[C:24](=[O:29])[NH:25][C:26](=[O:28])[CH2:27]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[C:27]2[S:23][C:24](=[O:29])[NH:25][C:26]2=[O:28])[cH:7][c:8]([Cl:22])[c:9]1[O:10][c:11]1[cH:12][c:13]([CH:19]([CH3:20])[CH3:21])[c:14]([O:17][CH3:18])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 6379691-PiperidiniumHCID 22285675HCID 22285675, compound

Product 1

HCID 86584085HCID 86584085, compound

Sources & evidence

ORD record
ord-3eb70e061aed489f9f6fb8eec5ac8a98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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