Isopropanol → HCID 58883330, compound

HRID 1235003Notes

Reaction equation

HRID 1235003 reaction equation
[CH3:25][CH:26]([CH2:27][CH2:28][O:29][N:30]=[O:31])[CH3:32].[CH:33]([OH:34])([CH3:35])[CH3:36].[NH2:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[NH2:24])[cH:19][cH:20]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([Cl:13])[n:10][cH:11][cH:12]1>>[cH:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[NH2:24])[cH:19][cH:20]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([Cl:13])[n:10][cH:11][cH:12]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 8053Isoamyl NitriteHCID 58883350HCID 58883350, compound

Product 1

HCID 58883330HCID 58883330, compound

Sources & evidence

ORD record
ord-05cab4916e6c45bf975aaaf361293bd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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