Sodium ion → HCID 178488173, compound

HRID 124195Notes

Reaction equation

HRID 124195 reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[Cl:63][CH:64]([Cl:65])[CH3:66].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8](-[c:33]1[cH:34][cH:35][c:36]([CH:39]=[O:40])[cH:37][cH:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1.[NH:41]1[CH2:42][CH:43]([OH:46])[CH2:44][CH2:45]1.[Na+:60].[Na+:62].[OH-:61]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8](-[c:33]1[cH:34][cH:35][c:36]([CH2:39][N:41]3[CH2:42][CH:43]([OH:46])[CH2:44][CH2:45]3)[cH:37][cH:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 961HydroxideHCID 63651,1-DichloroethaneHCID 982104-HydroxypyrrolidineHCID 2724942TriacetoxyborohydrideHCID 11444225N1-{4-[4-amino-1-(4-formylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-2-fluoro-4-(trifluoromethyl)benzamide

Product 1

HCID 178488173HCID 178488173, compound

Sources & evidence

ORD record
ord-1c03ec3b6cef49fdaa6881cd1bd2848c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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