Acetone → HCID 86660072, compound

HRID 1572555Notes

Reaction equation

HRID 1572555 reaction equation
[CH3:26][C:27](=[O:28])[CH3:29].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([Cl:8])[n:7]1.[ClH:25].[Na+:24].[OH-:23].[OH2:30].[SH:9][c:10]1[cH:11][c:12]2[cH:13][cH:14][cH:15][c:16]([C:20](=[O:21])[OH:22])[c:17]2[cH:18][cH:19]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([S:9][c:10]2[cH:11][c:12]3[cH:13][cH:14][cH:15][c:16]([C:20](=[O:21])[OH:22])[c:17]3[cH:18][cH:19]2)[n:7]1

Participants

8

Sources & evidence

ORD record
ord-e7e355914ea844f6b8a42cbe35636358
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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