Toluene → STK331703

HRID 1226906Notes

Reaction equation

HRID 1226906 reaction equation
[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[SH:20].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([N+:10]([O-:11])=[O:12])[cH:8][cH:9]1.[P:21]12(=[S:22])[S:23][P:24]3(=[S:34])[S:25][P:26](=[S:32])([S:27][P:28](=[S:31])([S:29]3)[S:30]1)[S:33]2>>[C:2]([c:4]1[cH:5][cH:6][c:7]([N+:10]([O-:11])=[O:12])[cH:8][cH:9]1)([S:20][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[S:22]

Participants

5

Reactant 4

HCID 1140TolueneHCID 61084-Nitrobenzoic AcidHCID 7509Benzyl mercaptanHCID 14817Phosphorus sulfide (P2S5)

Product 1

HCID 11415045STK331703

Sources & evidence

ORD record
ord-b61a9a2cbf8247cf95dc5cb6f68216fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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