Hydrochloric Acid → Benzenesulfonic Acid

HRID 1573972Notes

Reaction equation

HRID 1573972 reaction equation
[CH3:1][c:2]1[c:3](-[c:19]2[cH:20][c:21]([CH2:25][NH:26][c:27]3[cH:28][c:29]([F:40])[c:30]([CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:31][cH:32]3)[cH:22][cH:23][cH:24]2)[c:4]([CH3:18])[cH:5][c:6]([O:8][CH2:9][CH2:10][CH2:11][N:12]2[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]2)[cH:7]1.[CH3:41][OH:42].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[ClH:45].[Na+:44].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH-:43].[c:46]1([S:52](=[O:53])(=[O:54])[OH:55])[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH3:1][c:2]1[c:3](-[c:19]2[cH:20][c:21]([CH2:25][NH:26][c:27]3[cH:28][c:29]([F:40])[c:30]([CH2:33][CH2:34][C:35](=[O:36])[OH:37])[cH:31][cH:32]3)[cH:22][cH:23][cH:24]2)[c:4]([CH3:18])[cH:5][c:6]([O:8][CH2:9][CH2:10][CH2:11][N:12]2[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]2)[cH:7]1.[c:46]1([S:52](=[O:53])(=[O:54])[OH:55])[cH:47][cH:48][cH:49][cH:50][cH:51]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 7371Benzenesulfonic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23157691HCID 23157691, compound

Product 2

HCID 7371Benzenesulfonic AcidHCID 12002200HCID 12002200, compound

Sources & evidence

ORD record
ord-7832c6f11d6249eab77d39130ad23db9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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