Ammonium → 1-[(5-Chloroindol-2-yl)sulfonyl]-3-(ethyl)piperazine

HRID 135520Notes

Reaction equation

HRID 135520 reaction equation
[CH2:3]1[O:4][CH2:5][CH2:6][O:7][CH2:8]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl-:39].[Cl:9][c:10]1[cH:11][c:12]2[cH:13][c:14]([S:28](=[O:29])(=[O:30])[N:31]3[CH2:32][CH:33]([CH2:37][CH3:38])[NH:34][CH2:35][CH2:36]3)[n:15]([S:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)(=[O:26])=[O:27])[c:16]2[cH:17][cH:18]1.[NH4+:40].[Na+:2].[OH-:1].[OH2:47]>>[Cl:9][c:10]1[cH:11][c:12]2[cH:13][c:14]([S:28](=[O:29])(=[O:30])[N:31]3[CH2:32][CH:33]([CH2:37][CH3:38])[NH:34][CH2:35][CH2:36]3)[nH:15][c:16]2[cH:17][cH:18]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 22710634HCID 22710634, compound

Product 1

HCID 227098481-[(5-Chloroindol-2-yl)sulfonyl]-3-(ethyl)piperazine

Sources & evidence

ORD record
ord-8edc60dd0cc44e8f86b7cac967af22b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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