1,2-Dichloroethane → HCID 178473367, compound

HRID 1117537Notes

Reaction equation

HRID 1117537 reaction equation
[CH2:16]([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH2:23][N:24]([C:27]([CH:28]([CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH2:39])=[O:40])[CH2:25][CH2:26]1.[CH2:51]([Cl:52])[CH2:53][Cl:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[OH:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[OH:15])[n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[OH:1][c:2]1[cH:3][c:4]([C:13](=[O:15])[NH:39][CH:28]([C:27]([N:24]2[CH2:23][CH2:22][N:21]([C:19]([O:18][CH2:16][CH3:17])=[O:20])[CH2:26][CH2:25]2)=[O:40])[CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 66919978Ethyl 4-[2-amino-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoyl]piperazine-1-carboxylateHCID 178524628HCID 178524628, compound

Product 1

HCID 178473367HCID 178473367, compound

Sources & evidence

ORD record
ord-4c3fe443cbd946c9bedecf51b48802de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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