proline dl-form → HCID 68514240, compound

HRID 298822Notes

Reaction equation

HRID 298822 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([I:26])[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:27][cH:28]1.[CH3:51][S:52]([CH3:53])=[O:54].[K+:37].[K+:38].[NH2:29][CH:30]1[CH2:31][CH:32]([OH:36])[CH2:33][CH2:34][CH2:35]1.[O-:39][C:40]([O-:41])=[O:42].[OH2:55].[OH:43][C:44]([CH:45]1[NH:46][CH2:47][CH2:48][CH2:49]1)=[O:50]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([NH:29][CH:30]3[CH2:31][CH:32]([OH:36])[CH2:33][CH2:34][CH2:35]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:27][cH:28]1

Participants

8

Reactant 7

HCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 112404593-AminocyclohexanolHCID 672210033-Fluoro-4-((3-iodo-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)oxy)aniline

Product 1

HCID 68514240HCID 68514240, compound

Sources & evidence

ORD record
ord-72b5178ba405434a932aaa4f82fa2762
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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