p-Toluenesulfonic acid → HCID 69354298, compound

HRID 1150699Notes

Reaction equation

HRID 1150699 reaction equation
[CH3:12][c:13]1[cH:14][c:15]([CH:20]=[CH:21][c:22]2[n:23][nH:24][c:25]3[cH:26][c:27]([NH:31][c:32]4[c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][cH:39][n:40]4)[cH:28][cH:29][c:30]23)[n:16][c:17]([CH3:19])[cH:18]1.[CH:41]1([C:44]#[C:45][CH2:46][NH2:47])[CH2:42][CH2:43]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH3:12][c:13]1[cH:14][c:15]([CH:20]=[CH:21][c:22]2[n:23][nH:24][c:25]3[cH:26][c:27]([NH:31][c:32]4[c:33]([C:34](=[O:35])[NH:47][CH2:46][C:45]#[C:44][CH:41]5[CH2:42][CH2:43]5)[cH:37][cH:38][cH:39][n:40]4)[cH:28][cH:29][c:30]23)[n:16][c:17]([CH3:19])[cH:18]1

Participants

4

Reactant 3

HCID 6101p-Toluenesulfonic acidHCID 22136558HCID 22136558, compoundHCID 865944632-[[3-[2-(4,6-dimethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]pyridine-3-carboxylic acid

Product 1

HCID 69354298HCID 69354298, compound

Sources & evidence

ORD record
ord-69d9a286557f443aaea371dd20c82c80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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