1,2-Dichloroethane → 2-[4-(5-Chloro-7-morpholin-4-yl-thiazolo[4,5-d]pyrimidin-2-ylmethyl)piperazin-1-yl]isobutyramide

HRID 111854Notes

Reaction equation

HRID 111854 reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]([N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:5]2[c:6]([n:7]1)[n:8][c:9]([CH:11]=[O:12])[s:10]2.[Cl:45][CH2:46][CH2:47][Cl:48].[N:19]1([C:25]([C:26](=[O:27])[NH2:28])([CH3:29])[CH3:30])[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[Na+:44]>>[Cl:1][c:2]1[n:3][c:4]([N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:5]2[c:6]([n:7]1)[n:8][c:9]([CH2:11][N:22]1[CH2:21][CH2:20][N:19]([C:25]([C:26](=[O:27])[NH2:28])([CH3:29])[CH3:30])[CH2:24][CH2:23]1)[s:10]2

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 217488412-Methyl-2-(piperazin-1-yl)propanamideHCID 576853925-Chloro-7-morpholinothiazolo[4,5-d]pyrimidine-2-carbaldehyde

Product 1

HCID 594182222-[4-(5-Chloro-7-morpholin-4-yl-thiazolo[4,5-d]pyrimidin-2-ylmethyl)piperazin-1-yl]isobutyramide

Sources & evidence

ORD record
ord-78524439bb484b59b4694a5358b85d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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