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

HRID 281131Notes

Reaction equation

HRID 281131 reaction equation
[Cl:37][CH2:38][Cl:39].[ClH:36].[F:1][c:2]1[cH:3][c:4]([N:9]2[S:10](=[O:34])(=[O:35])[N:11]([CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][N:24]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:25][CH2:26]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:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[F:1][c:2]1[cH:3][c:4]([N:9]2[S:10](=[O:34])(=[O:35])[N:11]([CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]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 68709886tert-butyl 4-{3-[3-(3,4-difluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]propyl}piperazine-1-carboxylate

Product 1

HCID 578862471-(3,4-Difluorophenyl)-3-(3-piperazin-1-ylpropyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

Sources & evidence

ORD record
ord-acdc3d4ea9c7482998674f44249ce109
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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