Hydrochloric Acid → Hydrochloric Acid

HRID 168199Notes

Reaction equation

HRID 168199 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25][O:26]3)[cH:18][cH:19]2)[c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][N:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:31][cH:32]2)[cH:7][cH:8]1.[CH3:48][CH2:49][OH:50].[ClH:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][c:14]2[cH:15][cH:16][c:17]([OH:20])[cH:18][cH:19]2)[c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][N:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:31][cH:32]2)[cH:7][cH:8]1.[ClH:41]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 312751,4-DioxaneHCID 221374154-methoxy-N-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-N-[4-(tetrahydro-pyran-2-yloxy)-benzyl]-benzenesulfonamide

Product 2

HCID 313Hydrochloric AcidHCID 22137429N-[(4-hydroxyphenyl)methyl]-4-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

Sources & evidence

ORD record
ord-ab3a212e21814c8f8eab9fb243088329
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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