Hydrochloric Acid → Hydrochloric Acid

HRID 116221Notes

Reaction equation

HRID 116221 reaction equation
[CH3:2][CH:3]([OH:4])[CH3:5].[ClH:1].[NH2:6][c:7]1[c:8](-[c:33]2[o:34][c:35]3[c:36]([n:37]2)[cH:38][cH:39][cH:40][cH:41]3)[cH:9][c:10](-[c:13]2[c:14]([CH:31]=[O:32])[n:15][n:16]([CH:18]3[CH2:19][CH2:20][N:21]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:22][CH2:23]3)[cH:17]2)[cH:11][n:12]1>>[ClH:1].[NH2:6][c:7]1[c:8](-[c:33]2[o:34][c:35]3[c:36]([n:37]2)[cH:38][cH:39][cH:40][cH:41]3)[cH:9][c:10](-[c:13]2[c:14]([CH:31]=[O:32])[n:15][n:16]([CH:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:17]2)[cH:11][n:12]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 86630148Tert-butyl 4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridyl]-3-formyl-pyrazol-1-yl]piperidine-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 866301574-[6-Amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-1-piperidin-4-ylpyrazole-3-carbaldehyde

Sources & evidence

ORD record
ord-f50edf3054d44c488b21b806547a09a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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