Toluene → HCID 12904740, compound

HRID 150269Notes

Reaction equation

HRID 150269 reaction equation
[CH3:21][N:22]=[C:23]=[S:24].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([CH3:17])[n:15][cH:16]3)[n:18][c:19]2[NH2:20])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([CH3:17])[n:15][cH:16]3)[n:18][c:19]2[NH:20][C:23]([NH:22][CH3:21])=[S:24])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 11167Methyl isothiocyanateHCID 12904727HCID 12904727, compound

Product 1

HCID 12904740HCID 12904740, compound

Sources & evidence

ORD record
ord-87cae6e3602a4e528eb21c189b2860d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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