1,2-Dichloroethane → HCID 66711567, compound

HRID 164714Notes

Reaction equation

HRID 164714 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([cH:19][n:20]3)[cH:21][cH:22][c:23]4-[c:24]3[cH:25][cH:26][c:27]([CH:29]=[O:30])[o:28]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[CH3:31][S:32](=[O:33])(=[O:34])[CH2:35][CH2:36][NH2:37].[CH3:39][C:40](=[O:41])[OH:42].[Cl:57][CH2:58][CH2:59][Cl:60].[ClH:38].[Na+:56]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([cH:19][n:20]3)[cH:21][cH:22][c:23]4-[c:24]3[cH:25][cH:26][c:27]([CH2:29][NH:37][CH2:36][CH2:35][S:32]([CH3:31])(=[O:33])=[O:34])[o:28]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 43405612-(Methylsulfonyl)ethanamineHCID 46851380HCID 46851380, compound

Product 1

HCID 66711567HCID 66711567, compound

Sources & evidence

ORD record
ord-4e301b7ce0764200bf55c4396ede8215
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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