Water → HCID 178499201, compound

HRID 1227898Notes

Reaction equation

HRID 1227898 reaction equation
[C:17](=[O:18])([O:19][CH3:20])[CH:21]([OH:22])[CH:23]([OH:24])[C:25](=[O:26])[O:27][CH3:28].[CH3:29][c:30]1[cH:31][cH:32][c:33]([S:34](=[O:35])(=[O:36])[OH:37])[cH:38][cH:39]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:9]2=[N:13][CH:12]([CH:14]([CH3:15])[CH3:16])[CH2:11][O:10]2)[cH:7][cH:8]1.[OH2:40]>>[CH:1]1([c:3]2[cH:4][cH:5][c:6]([C:9]3=[N:13][CH:12]([CH:14]([CH3:15])[CH3:16])[CH2:11][O:10]3)[cH:7][cH:8]2)[O:2][CH:21]([C:17](=[O:18])[O:19][CH3:20])[CH:23]([C:25](=[O:26])[O:27][CH3:28])[O:24]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 79067Dimethyl 2,3-dihydroxybutanedioateHCID 189575244-(4-Isopropyl-4,5-dihydrooxazol-2-yl)benzaldehyde

Product 1

HCID 178499201HCID 178499201, compound

Sources & evidence

ORD record
ord-d89105ae34d54f8fac895e8d8ff4b0e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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