Hydrochloric Acid → HCID 57675214, compound

HRID 190593Notes

Reaction equation

HRID 190593 reaction equation
[C:1]([CH2:2][CH:3]([CH3:4])[CH3:5])(=[O:6])[Cl:7].[CH2:9]([CH3:10])[n:11]1[n:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18](-[c:27]1[n:28][c:29]([CH2:32][CH:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[n:30][o:31]1)[c:19]2[NH:20][CH:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[CH:48]([Cl:49])([Cl:50])[Cl:51].[ClH:8]>>[C:1]([CH2:2][CH:3]([CH3:4])[CH3:5])(=[O:6])[N:36]1[CH2:35][CH2:34][CH:33]([CH2:32][c:29]2[n:28][c:27](-[c:18]3[cH:17][n:16][c:15]4[n:11]([CH2:9][CH3:10])[n:12][cH:13][c:14]4[c:19]3[NH:20][CH:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[o:31][n:30]2)[CH2:38][CH2:37]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 66054Isovaleryl chlorideHCID 81531DiisopropylethylamineHCID 576752041-ethyl-N-(oxan-4-yl)-5-[3-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-amine

Product 1

HCID 57675214HCID 57675214, compound

Sources & evidence

ORD record
ord-a9b13d29e9f14f18bce5e6fd053ced69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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