Phenylethanolamine → HCID 178463013, compound

HRID 1126685Notes

Reaction equation

HRID 1126685 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][cH:9][c:10]([C:19](=[O:20])[OH:21])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH2:32]([n:33]1[c:34]2[n:35][cH:36][c:37]([C:38]([NH:39][CH:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:47][OH:48])=[O:49])[c:50]([NH:51][CH:52]3[CH2:53][CH2:54][O:55][CH2:56][CH2:57]3)[c:58]2[cH:59][n:60]1)[CH3:61].[NH2:22][CH2:23][CH:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][cH:9][c:10]([C:19](=[O:20])[NH:22][CH2:23][CH:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

4

Reactant 3

HCID 1000PhenylethanolamineHCID 534878291-Ethyl-4-((tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acidHCID 675355321-ethyl-N-(2-hydroxy-1-phenylethyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Product 1

HCID 178463013HCID 178463013, compound

Sources & evidence

ORD record
ord-5df075aa79c44a14acce2f540f89a0b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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