Acetonitrile → HCID 20183631, compound

HRID 1545427Notes

Reaction equation

HRID 1545427 reaction equation
[CH3:35][C:36]#[N:37].[OH:1][CH:2]([c:3]1[cH:4][c:5]([C:14](=[O:15])[OH:16])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[OH:23][I:24]1(=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[C:32](=[O:33])[O:34]1>>[O:1]=[C:2]([c:3]1[cH:4][c:5]([C:14](=[O:15])[OH:16])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 3394961-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxideHCID 452797191-(Hydroxyphenylmethyl)-4-oxo-4H-quinolizine-3-carboxylic acid

Product 1

HCID 20183631HCID 20183631, compound

Sources & evidence

ORD record
ord-904c1135f2ed44e0bad8d9a63947fb96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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