Toluene → HCID 136045554, compound

HRID 175251Notes

Reaction equation

HRID 175251 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][c:17]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:18]1[OH:19].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[NH2:24][NH:25][C:26](=[S:27])[NH2:28].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[N:24][NH:25][C:26](=[S:27])[NH2:28])[cH:16][c:17]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:18]1[OH:19]

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 1898376Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]phenyl-HCID 2723789Thiosemicarbazide

Product 1

HCID 136045554HCID 136045554, compound

Sources & evidence

ORD record
ord-a5bf75682f1e45f99f9a6b6f7b1f83c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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