Acetate → 2-[1-(4-Aminocyclohexyl)ethylamino]-4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

HRID 208557Notes

Reaction equation

HRID 208557 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].[CH3:43][C:44](=[O:45])[O-:46].[CH3:61][OH:62].[Cl:63][CH2:64][Cl:65].[NH4+:42].[Na+:60].[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([CH:8]([CH3:9])[NH:10][c:11]2[n:12][cH:13][c:14]([C:40]#[N:41])[c:15](-[c:17]3[cH:18][n:19]([S:30](=[O:31])(=[O:32])[c:33]4[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]4)[c:20]4[n:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][c:25]34)[n:16]2)[CH2:6][CH2:7]1>>[CH:2]1([NH2:42])[CH2:3][CH2:4][CH:5]([CH:8]([CH3:9])[NH:10][c:11]2[n:12][cH:13][c:14]([C:40]#[N:41])[c:15](-[c:17]3[cH:18][n:19]([S:30](=[O:31])(=[O:32])[c:33]4[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]4)[c:20]4[n:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][c:25]34)[n:16]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 223AmmoniumHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 178427349HCID 178427349, compound

Product 1

HCID 722778502-[1-(4-Aminocyclohexyl)ethylamino]-4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-c218647d4a574f99b0bf37e71a6a855e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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