1,2-Dichloroethane → HCID 178463751, compound

HRID 2126440Notes

Reaction equation

HRID 2126440 reaction equation
[C:14]([O:15][BH-:16]([O:17][C:18](=[O:19])[CH3:20])[O:21][C:22](=[O:23])[CH3:24])(=[O:25])[CH3:26].[C:48](=[O:49])([O-:50])[OH:51].[CH3:57][C:58](=[O:59])[OH:60].[Cl:53][CH2:54][CH2:55][Cl:56].[Na+:27].[Na+:52].[c:1]1([CH:11]([CH3:12])[NH2:13])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[c:28]1([CH:34]2[CH:35]([CH:46]=[O:47])[CH2:36][N:37]([C:40]([C:41]([F:42])([F:43])[F:44])=[O:45])[CH2:38][CH2:39]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:1]1([CH:11]([CH3:12])[NH:13][CH2:46][CH:35]2[CH:34]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:39][CH2:38][N:37]([C:40]([C:41]([F:42])([F:43])[F:44])=[O:45])[CH2:36]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 980891-(1-Naphthyl)ethylamineHCID 2724942TriacetoxyborohydrideHCID 178519840HCID 178519840, compound

Product 1

HCID 178463751HCID 178463751, compound

Sources & evidence

ORD record
ord-af6e36d266064f2f99941cbb1d5293c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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