Sodium ion → HCID 69206466, compound

HRID 1204727Notes

Reaction equation

HRID 1204727 reaction equation
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH3:41][O:42][CH2:43][CH2:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[Cl:67][CH:68]([Cl:69])[CH3:70].[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.[Na+:64].[Na+:66].[OH-:65]>>[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:48]3[CH2:47][CH2:46][N:45]([CH2:44][CH2:43][O:42][CH3:41])[CH2:50][CH2:49]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 2724942TriacetoxyborohydrideHCID 27346381-(2-Methoxyethyl)piperazineHCID 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 69206466HCID 69206466, compound

Sources & evidence

ORD record
ord-1c878fd7ea0b498a99211d81f0168731
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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