Hydrochloric Acid → Psoromic Acid

HRID 675445Notes

Reaction equation

HRID 675445 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([O:26][CH3:27])[c:8]([CH3:25])[c:9]2[c:15]1[O:14][c:13]1[c:12]([c:19]([CH3:20])[cH:18][c:17]([OH:21])[c:16]1[CH:22]=[O:23])[C:11](=[O:24])[O:10]2.[CH3:31][N:32]([CH3:33])[P:34](=[O:35])([N:36]([CH3:37])[CH3:38])[N:39]([CH3:40])[CH3:41].[ClH:30].[I-:28].[Li+:29]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][c:7]([O:26][CH3:27])[c:8]([CH3:25])[c:9]2[c:15]1[O:14][c:13]1[c:12]([c:19]([CH3:20])[cH:18][c:17]([OH:21])[c:16]1[CH:22]=[O:23])[C:11](=[O:24])[O:10]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 12679HexamethylphosphoramideHCID 28486Lithium ionHCID 30165Iodide IonHCID 148259704-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid methyl ester

Product 1

HCID 23725Psoromic Acid

Sources & evidence

ORD record
ord-0f01bb86a4e84d2a80dde6c5fc796d78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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