Ethanol → HCID 178429811, compound

HRID 153431Notes

Reaction equation

HRID 153431 reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[CH:8]1([NH:11][c:12]2[c:13]([CH3:37])[c:14]([N:23]3[CH2:24][CH2:25][N:26]([c:29]4[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][n:36]4)[CH2:27][CH2:28]3)[n:15][c:16]3[n:17]2[n:18][cH:19][c:20]3[CH:21]=[O:22])[CH2:9][CH2:10]1.[O:1]=[C:2]1[CH2:3][NH:4][C:5](=[O:6])[NH:7]1.[OH2:47]>>[O:1]=[C:2]1[C:3](=[CH:21][c:20]2[c:16]3[n:15][c:14]([N:23]4[CH2:24][CH2:25][N:26]([c:29]5[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][n:36]5)[CH2:27][CH2:28]4)[c:13]([CH3:37])[c:12]([NH:11][CH:8]4[CH2:9][CH2:10]4)[n:17]3[n:18][cH:19]2)[NH:4][C:5](=[O:6])[NH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8082PiperidineHCID 10006HydantoinHCID 583141322-(4-(7-(Cyclopropylamino)-3-formyl-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl)nicotinonitrile

Product 1

HCID 178429811HCID 178429811, compound

Sources & evidence

ORD record
ord-46b0a20559d24b928405df477c7fe6ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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