Water → 4-(4-Chloro-5-(2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiazol-2-yl)morpholine

Reaction equation

[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][c:8]([CH3:23])[n:9][c:10]2[n:11]1[n:12][c:13]([CH3:22])[c:14]2-[c:15]1[c:16]([Cl:21])[n:17][c:18]([Cl:20])[s:19]1.[CH2:28]1[CH2:29][O:30][CH2:31][CH2:32][NH:33]1.[CH3:24][CH:25]([OH:26])[CH3:27].[OH2:34]>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][c:8]([CH3:23])[n:9][c:10]2[n:11]1[n:12][c:13]([CH3:22])[c:14]2-[c:15]1[c:16]([Cl:21])[n:17][c:18]([N:33]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[s:19]1

Participants

Reactant 4

HCID 962Water

HCID 3776Isopropanol

HCID 8083Morpholine

HCID 452757037-(1-Ethyl-propyl)-3-(2,4-dichloro-thiazol-5-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 248989774-(4-Chloro-5-(2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiazol-2-yl)morpholine

Sources & evidence

ORD record: ord-322985175e4e447e8ef8e90e3fdb4550
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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