Ethanol → 4-Isothiocyanatobenzoic acid

HRID 110046

Reaction equation

HRID 110046 reaction equation
[CH3:20][CH2:21][OH:22].[I:19].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])=[O:10])[cH:6][cH:7]1.[Na+:11].[O:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[OH:12][C:13](=[O:14])[O-:15].[S:16]=[C:17]=[S:18]>>[N:1]([c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])=[O:10])[cH:6][cH:7]1)=[C:17]=[S:16]

Participants

8

Sources & evidence

ORD record
ord-5d0dec6c8d204635b2a52d8957aaad91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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