1,2-Dichloroethane → HCID 59331477, compound

HRID 136365Notes

Reaction equation

HRID 136365 reaction equation
[C:32]([CH3:33])(=[O:34])[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][c:22](-[c:24]3[n:25][cH:26][cH:27][c:28]([CH:30]=[O:31])[cH:29]3)[nH:23]2)[cH:9][cH:10]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:55][CH2:56][CH2:57][Cl:58].[Na+:54]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][c:22](-[c:24]3[n:25][cH:26][cH:27][c:28]([CH2:30][N:38]4[CH2:37][CH2:36][N:35]([C:32]([CH3:33])=[O:34])[CH2:40][CH2:39]4)[cH:29]3)[nH:23]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 837951-AcetylpiperazineHCID 2724942TriacetoxyborohydrideHCID 59331432HCID 59331432, compound

Product 1

HCID 59331477HCID 59331477, compound

Sources & evidence

ORD record
ord-e07aaa8736cc488cbdad76c81ad5ddaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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