Hydrochloric Acid → (4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-morpholin-4-yl-5-nitro-phenyl)-methanone

HRID 156103Notes

Reaction equation

HRID 156103 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][C:42]#[N:43].[ClH:19].[N:20]1([c:26]2[n:27][s:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][cH:34]3)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[c:8]([C:9](=[O:11])[N:23]3[CH2:22][CH2:21][N:20]([c:26]4[n:27][s:28][c:29]5[c:30]4[cH:31][cH:32][cH:33][cH:34]5)[CH2:25][CH2:24]3)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 27257552-Morpholino-5-nitrobenzoic acidHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazole

Product 1

HCID 58906318(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-morpholin-4-yl-5-nitro-phenyl)-methanone

Sources & evidence

ORD record
ord-030b4d3a27d7402c955f37cfefd1a7fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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