p-Toluenesulfonic acid → HCID 69354028, compound

HRID 672979Notes

Reaction equation

HRID 672979 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][cH:40]4)[cH:28][cH:29][c:30]23)[n:16][c:17]([CH3:19])[cH:18]1.[NH2:41][CH2:42][C:43]#[C:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[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:36])[NH:41][CH2:42][C:43]#[C:44][CH2:45][O:46][C:47]([CH3:48])=[O:49])[cH:37][cH:38][cH:39][cH: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 23577851HCID 23577851, compoundHCID 69612749HCID 69612749, compound

Product 1

HCID 69354028HCID 69354028, compound

Sources & evidence

ORD record
ord-cd3d0f7c094649b095be5d899ccf4bae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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