Hydrochloric Acid → HCID 57675136, compound

HRID 2338808Notes

Reaction equation

HRID 2338808 reaction equation
[CH2:6]([CH3:7])[n:8]1[n:9][cH:10][c:11]2[c:12]1[n:13][cH:14][c:15](-[c:24]1[n:25][c:26]([CH2:29][CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[n:27][o:28]1)[c:16]2[NH:17][CH:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[CH3:1][C:2]([Cl:3])=[O:4].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[CH:45]([Cl:46])([Cl:47])[Cl:48].[ClH:5]>>[CH3:1][C:2](=[O:4])[N:33]1[CH2:32][CH2:31][CH:30]([CH2:29][c:26]2[n:25][c:24](-[c:15]3[cH:14][n:13][c:12]4[n:8]([CH2:6][CH3:7])[n:9][cH:10][c:11]4[c:16]3[NH:17][CH:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[o:28][n:27]2)[CH2:35][CH2:34]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 6367Acetyl 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 57675136HCID 57675136, compound

Sources & evidence

ORD record
ord-aa376f3ae56a480fb8f1f58f4c9cb369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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