1,2-Dichloroethane → HCID 54520282, compound

HRID 162126Notes

Reaction equation

HRID 162126 reaction equation
[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].[C:55](=[O:56])([O-:57])[O-:58].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:20])[CH2:8][CH:9]([NH2:19])[c:10]2[cH:11][c:12]([O:17][CH3:18])[c:13]([OH:16])[cH:14][c:15]21.[CH3:37][C:38](=[O:39])[OH:40].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:61][CH2:62][CH2:63][Cl:64].[F:21][C:22]([c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[K+:59].[K+:60].[Na+:54].[OH2:71]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:20])[CH2:8][CH:9]([NH:19][CH2:26][c:25]2[cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]2)[c:10]2[cH:11][c:12]([O:17][CH3:18])[c:13]([OH:16])[cH:14][c:15]21

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 2724942TriacetoxyborohydrideHCID 57165267HCID 57165267, compound

Product 1

HCID 54520282HCID 54520282, compound

Sources & evidence

ORD record
ord-213e2663b8344963b1f41f30e6c1dccb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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