1,2-Dichloroethane → HCID 57964917, compound

HRID 1553394Notes

Reaction equation

HRID 1553394 reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1.[Cl:62][CH2:63][CH2:64][Cl:65].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:61].[OH2:66].[s:34]1[c:35]([CH:39]=[O:40])[n:36][cH:37][cH:38]1>>[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][N:29]([CH2:39][c:35]4[s:34][cH:38][cH:37][n:36]4)[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 27349031,3-Thiazole-2-carbaldehydeHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964917HCID 57964917, compound

Sources & evidence

ORD record
ord-ae515c57f8d2469dbd31f25717ab4c19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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