Ethanol → HCID 178450683, compound

HRID 1544928Notes

Reaction equation

HRID 1544928 reaction equation
[CH2:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]3[n:12]([c:13]([NH:15][c:16]4[cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27][cH:28]4)[cH:14]2)[n:29][cH:30][c:31]3[CH:32]=[O:33])[cH:5][cH:6][cH:7]1.[O:37]=[C:38]1[CH2:39][NH:40][C:41](=[O:42])[NH:43]1.[OH2:50]>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]3[n:12]([c:13]([NH:15][c:16]4[cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27][cH:28]4)[cH:14]2)[n:29][cH:30][c:31]3[CH:32]=[C:39]2[C:38](=[O:37])[NH:43][C:41](=[O:42])[NH:40]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8082PiperidineHCID 10006HydantoinHCID 58314670Tert-butyl 3-(5-(3-chlorophenylamino)-3-formylpyrazolo[1,5-a]pyrimidin-7-ylamino)benzoate

Product 1

HCID 178450683HCID 178450683, compound

Sources & evidence

ORD record
ord-65805edc18b643d5ac34fb86b262b9eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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