Hydrochloric Acid → 1-(3,4-Difluorophenyl)-3-(2-piperazin-1-ylethyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

HRID 2346195Notes

Reaction equation

HRID 2346195 reaction equation
[Cl:36][CH2:37][Cl:38].[ClH:35].[F:1][c:2]1[cH:3][c:4]([N:9]2[S:10](=[O:33])(=[O:34])[N:11]([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][N:23]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:24][CH2:25]3)[c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:5][cH:6][c:7]1[F:8].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[F:1][c:2]1[cH:3][c:4]([N:9]2[S:10](=[O:33])(=[O:34])[N:11]([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 68709692tert-butyl 4-{2-[3-(3,4-difluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]ethyl}piperazine-1-carboxylate

Product 1

HCID 687138131-(3,4-Difluorophenyl)-3-(2-piperazin-1-ylethyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

Sources & evidence

ORD record
ord-fa547c9646ee4726baf7d04fd1a57b2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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