Dichloromethane → p-Toluenesulfonic acid

HRID 289203Notes

Reaction equation

HRID 289203 reaction equation
[CH3:12][C:13]([CH3:14])([c:15]1[n:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]1)[NH:25][CH:26]1[C:27](=[O:50])[N:28]([c:42]2[cH:43][cH:44][c:45]([C:46]#[N:47])[cH:48][cH:49]2)[CH:29]([c:31]2[cH:32][c:33]([O:37][C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36]2)[CH2:30]1.[Cl:51][CH2:52][Cl:53].[O-:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH3:9])[cH:10][cH:11]1>>[CH3:12][C:13]([CH3:14])([c:15]1[n:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]1)[NH:25][CH:26]1[C:27](=[O:50])[N:28]([c:42]2[cH:43][cH:44][c:45]([C:46]#[N:47])[cH:48][cH:49]2)[CH:29]([c:31]2[cH:32][c:33]([O:37][C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36]2)[CH2:30]1.[O:1]=[S:2](=[O:3])([OH:4])[c:5]1[cH:6][cH:7][c:8]([CH3:9])[cH:10][cH:11]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 85570p-ToluenesulfonateHCID 178456726HCID 178456726, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178456726HCID 178456726, compound

Sources & evidence

ORD record
ord-32fd33faeb7f4aa7b884fb0cc4c8510c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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