Hydrochloric Acid → Hydrochloric Acid

HRID 199226Notes

Reaction equation

HRID 199226 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][S:8][CH:9]([CH2:12][C:13]([F:14])([F:15])[F:16])[C:10]1=[O:11].[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[CH2:7][S:8][CH:9]([CH2:12][C:13]([F:14])([F:15])[F:16])[C:10]1=[O:11])[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 217066033-(4-Bromobutyl)-5-(2,2,2-trifluoroethyl)-4-thiazolidinone

Product 2

HCID 313Hydrochloric AcidHCID 117981293-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-5-(2,2,2-trifluoro-ethyl)-thiazolidin-4-one

Sources & evidence

ORD record
ord-33cd206b8fb346d1bd36bcc30dcf83c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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