1,2-Dichloroethane → HCID 178453782, compound

HRID 146075Notes

Reaction equation

HRID 146075 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][CH:30]([C:31](=[O:32])[N:33]1[CH:34]([C:35](=[O:36])[OH:37])[CH2:38][CH2:39][CH2:40]1)[CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:57][N:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[Cl:8][c:9]1[cH:10][cH:11][c:12](-[c:17]2[n:18][s:19][n:20][cH:21]2)[c:13]([CH2:14][NH3+:15])[cH:16]1.[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:8][c:9]1[cH:10][cH:11][c:12](-[c:17]2[n:18][s:19][n:20][cH:21]2)[c:13]([CH2:14][NH:15][C:35]([CH:34]2[N:33]([C:31]([CH:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)=[O:32])[CH2:40][CH2:39][CH2:38]2)=[O:36])[cH:16]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 84468TrifluoroacetateHCID 181649HOAtHCID 21866267HCID 21866267, compoundHCID 178514195HCID 178514195, compound

Product 1

HCID 178453782HCID 178453782, compound

Sources & evidence

ORD record
ord-d52053665e054a44979df3a972f8ef47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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