Hydrochloric Acid → Hydrochloric Acid

HRID 157339Notes

Reaction equation

HRID 157339 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH:7]([CH3:16])[S:8][C:9]2([C:10]1=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15]2.[CH3:41][C:42]#[N:43].[ClH:17].[I-:39].[K+:33].[K+:34].[Na+:40].[O-:35][C:36]([O-:37])=[O:38].[s:18]1[n:19][c:20]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][N:6]1[CH:7]([CH3:16])[S:8][C:9]2([C:10]1=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15]2)[N:30]1[CH2:29][CH2:28][N:27]([c:20]2[n:19][s:18][c:22]3[c:21]2[cH:26][cH:25][cH:24][cH:23]3)[CH2:32][CH2:31]1.[ClH:17]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 107809503-(4-Bromobutyl)-2-methyl-1-thia-3-azaspiro[4.4]nonan-4-one

Product 2

HCID 313Hydrochloric AcidHCID 105512963-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-2-methyl-1-thia-3-aza-spiro[4.4]nonan-4-one

Sources & evidence

ORD record
ord-38d48ef4c4094bbda3fc3656af426067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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