Hydrochloric Acid → 6-[8-(4-Morpholin-4-yl-phenylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one

HRID 86967Notes

Reaction equation

HRID 86967 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:7]([c:8]1[c:9]2[n:10]([c:11](-[c:14]3[cH:15][c:16]4[c:17]([cH:24][cH:25]3)[C:18](=[O:23])[NH:19][S:20]4(=[O:21])=[O:22])[cH:12][n:13]1)[n:26][cH:27][n:28]2)[c:29]1[cH:30][cH:31][c:32]([N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:33][cH:34]1)([CH3:5])([CH3:6])[CH3:41].[ClH:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[NH:7]([c:8]1[c:9]2[n:10]([c:11](-[c:14]3[cH:15][c:16]4[c:17]([cH:24][cH:25]3)[C:18](=[O:23])[NH:19][S:20]4(=[O:21])=[O:22])[cH:12][n:13]1)[n:26][cH:27][n:28]2)[c:29]1[cH:30][cH:31][c:32]([N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:33][cH:34]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 67047387(4-Morpholin-4-yl-phenyl)-[5-(1,1,3-trioxo-2,3-dihydro-1H-1lambda6-benzo[d]isothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-carbamic acid tert-butyl ester

Product 1

HCID 575899666-[8-(4-Morpholin-4-yl-phenylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one

Sources & evidence

ORD record
ord-b6ca4a5531fc489a84f17c49e98ceea9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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