Acetic Acid → HCID 86584758, compound

HRID 289567Notes

Reaction equation

HRID 289567 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][O:9][c:10]2[c:11]([CH:12]=[O:13])[cH:14][c:15]([O:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[cH:16][cH:17]2)[cH:6][cH:7]1.[NH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:55].[S:27]1[C:28](=[S:29])[N:30]([CH2:34][C:35](=[O:36])[OH:37])[C:31](=[O:32])[CH2:33]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][O:9][c:10]2[c:11]([CH:12]=[C:33]3[S:27][C:28](=[S:29])[N:30]([CH2:34][C:35](=[O:36])[OH:37])[C:31]3=[O:32])[cH:14][c:15]([O:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[cH:16][cH:17]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 8082PiperidineHCID 797933-Thiazolidineacetic acid, 4-oxo-2-thioxo-HCID 18677290HCID 18677290, compound

Product 1

HCID 86584758HCID 86584758, compound

Sources & evidence

ORD record
ord-3103f182e2a34ff1adb3aee7e55ba1b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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