1,2-Dichloroethane → HCID 21106629, compound

HRID 203848Notes

Reaction equation

HRID 203848 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH2:44]=[O:45].[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[n:7][cH:8][cH:9][cH:10][c:11]1[O:12][CH2:13][CH2:14][O:15][c:16]1[n:17][cH:18][cH:19][n:20][c:21]1[N:22]1[CH:23]([CH3:28])[CH2:24][NH:25][CH2:26][CH2:27]1)[CH3:29].[Cl:48][CH2:49][CH2:50][Cl:51].[Na+:43].[Na+:47].[OH-:46].[OH2:52]>>[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[n:7][cH:8][cH:9][cH:10][c:11]1[O:12][CH2:13][CH2:14][O:15][c:16]1[n:17][cH:18][cH:19][n:20][c:21]1[N:22]1[CH:23]([CH3:28])[CH2:24][N:25]([CH3:30])[CH2:26][CH2:27]1)[CH3:29]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 712FormaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 2724942TriacetoxyborohydrideHCID 21908990N,N-dimethyl-2-[[3-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]-2-pyridinyl]oxy]ethanamine

Product 1

HCID 21106629HCID 21106629, compound

Sources & evidence

ORD record
ord-e46cb61aded942e0b89a9492e9d4a593
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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