1,2-Dichloroethane → HCID 57964879, compound

HRID 1148209Notes

Reaction equation

HRID 1148209 reaction equation
[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[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.[CH:34]([CH3:35])([CH3:36])[c:37]1[cH:38][cH:39][c:40]([CH:41]=[O:42])[cH:43][cH:44]1.[Cl:66][CH2:67][CH2:68][Cl:69].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:65].[OH2:70]>>[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]([CH2:41][c:40]4[cH:39][cH:38][c:37]([CH:34]([CH3:35])[CH3:36])[cH:44][cH:43]4)[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 326CuminaldehydeHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964879HCID 57964879, compound

Sources & evidence

ORD record
ord-fd8c1e69e8ef43038dc5deda93bc95a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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