1,2-Dichloroethane → HCID 68952417, compound

HRID 2346110Notes

Reaction equation

HRID 2346110 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH:23]([CH:24]=[O:25])[CH2:26][CH2:27][CH2:28]1.[C:29]([CH3:30])([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])=[O:41].[C:46]([BH3-:47])#[N:48].[CH3:51][C:52](=[O:53])[O-:54].[CH3:59][OH:60].[CH:43](=[O:44])[CH3:45].[Cl-:61].[Cl-:63].[Cl:55][CH2:56][CH2:57][Cl:58].[NH4+:50].[Na+:42].[Na+:49].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([NH2:11])[cH:12][cH:13][cH:14]1.[OH2:64].[Zn+2:62]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([N:11]([CH2:24][CH:23]2[N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:28][CH2:27][CH2:26]2)[CH2:29][CH3:30])[cH:12][cH:13][cH:14]1

Participants

14

Reactant 13

HCID 111,2-DichloroethaneHCID 175AcetateHCID 177AcetaldehydeHCID 223AmmoniumHCID 312Chloride2×HCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 32051Zinc(2+)HCID 771353-PhenoxyanilineHCID 498716Cyano-borohydrideHCID 2724942TriacetoxyborohydrideHCID 42278151-Boc-2-Formylpyrrolidine

Product 1

HCID 68952417HCID 68952417, compound

Sources & evidence

ORD record
ord-e8b137474c704e0eb49602a17307204a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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