1,2-Dichloroethane → HCID 136128373, compound

HRID 116695Notes

Reaction equation

HRID 116695 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH:1]([CH2:2][CH3:3])=[O:4].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:54][CH2:55][CH2:56][Cl:57].[Cl:6][c:7]1[c:8]([CH2:9][NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:19][cH:20][c:21]([C:23](=[O:24])[N:25]2[c:26]3[c:27]([cH:36][cH:37][cH:38][cH:39]3)[NH:28][c:29]3[n:30]([CH3:35])[n:31][cH:32][c:33]3[CH2:34]2)[cH:22]1.[ClH:5].[Na+:53].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71]>>[CH2:1]([CH2:2][CH3:3])[N:16]1[CH2:15][CH2:14][CH:13]([C:11]([NH:10][CH2:9][c:8]2[c:7]([Cl:6])[cH:22][c:21]([C:23](=[O:24])[N:25]3[c:26]4[c:27]([cH:36][cH:37][cH:38][cH:39]4)[NH:28][c:29]4[n:30]([CH3:35])[n:31][cH:32][c:33]4[CH2:34]3)[cH:20][cH:19]2)=[O:12])[CH2:18][CH2:17]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 527PropanalHCID 923Sodium ionHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 136128356HCID 136128356, compound

Product 1

HCID 136128373HCID 136128373, compound

Sources & evidence

ORD record
ord-fc3eabbb5151411da274f649d20c7ae9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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