Toluene → HCID 178475406, compound

HRID 1118669Notes

Reaction equation

HRID 1118669 reaction equation
[C:13]([CH3:14])(=[O:15])[O:16][c:17]1[c:18]([CH3:25])[cH:19][c:20]([NH2:24])[cH:21][c:22]1[CH3:23].[CH3:26][c:27]1[cH:28][cH:29][c:30]([S:31](=[O:32])(=[O:33])[OH:34])[cH:35][cH:36]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:1]1([N:7]2[N:8]=[C:9]([NH2:12])[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]2[N:8]=[C:9]([NH:12][c:20]3[cH:19][c:18]([CH3:25])[c:17]([O:16][C:13]([CH3:14])=[O:15])[c:22]([CH3:23])[cH:21]3)[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 987363-Amino-1-phenylpyrazoleHCID 152316094-Amino-2,6-dimethylphenyl acetate

Product 1

HCID 178475406HCID 178475406, compound

Sources & evidence

ORD record
ord-129a5bda53d5495fb12ad4bf7aa27f64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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