2-Mercaptobenzonitrile → HCID 178475753, compound

HRID 311786Notes

Reaction equation

HRID 311786 reaction equation
[C:10]([CH3:11])(=[O:12])[O:13][CH:14]1[CH:15]([Br:28])[S:16][CH2:17][CH:18]([O:24][C:25]([CH3:26])=[O:27])[CH:19]1[O:20][C:21]([CH3:22])=[O:23].[SH:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1>>[S:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1)[CH:15]1[CH:14]([O:13][C:10]([CH3:11])=[O:12])[CH:19]([O:20][C:21]([CH3:22])=[O:23])[CH:18]([O:24][C:25]([CH3:26])=[O:27])[CH2:17][S:16]1

Participants

3

Reactant 2

HCID 110189262-MercaptobenzonitrileHCID 14374025(3S,4S,5R,6S)-4,5-bis(acetyloxy)-6-bromothian-3-yl acetate

Product 1

HCID 178475753HCID 178475753, compound

Sources & evidence

ORD record
ord-6e720d0e6e4b44d2a3245f75ed73583f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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