Acetic Acid → HCID 178460973, compound

HRID 2162740Notes

Reaction equation

HRID 2162740 reaction equation
[C:17]([OH:18])(=[O:19])[CH3:20].[C:21]([OH:22])(=[O:23])[CH3:24].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][O:15][CH3:16].[NH2:25][CH2:26][c:27]1[cH:28][c:29]([O:34][Si:35]([CH:36]([CH3:37])[CH3:38])([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[c:30]([NH2:33])[cH:31][cH:32]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:25][CH2:26][c:27]1[cH:28][c:29]([O:34][Si:35]([CH:36]([CH3:37])[CH3:38])([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[c:30]([NH2:33])[cH:31][cH:32]1

Participants

6

Reactant 5

HCID 176Acetic Acid2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 59300340HCID 59300340, compoundHCID 686910194-methoxymethylene-6-iodo-4H-isoquinoline-1,3-dione

Product 1

HCID 178460973HCID 178460973, compound

Sources & evidence

ORD record
ord-e35882581a054640aa3d6dc0333396af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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