1,2-Dichloroethane → HCID 178482975, compound

HRID 668805Notes

Reaction equation

HRID 668805 reaction equation
[CH2:59]([Cl:60])[CH2:61][Cl:62].[CH3:42][N:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[CH:21]1([CH2:26][CH:27]([C:28](=[O:29])[OH:30])[CH2:31][N:32]([O:33][CH:34]2[O:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH:40]=[O:41])[CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl:1][c:2]1[n:3][c:4]([NH:19][NH2:20])[c:5]([F:18])[c:6]([N:8]2[CH2:9][C:10]3([CH2:11][CH2:12]3)[CH:13]([N:15]([CH3:16])[CH3:17])[CH2:14]2)[n:7]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:49][n:50]1[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Cl:1][c:2]1[n:3][c:4]([NH:19][NH:20][C:28]([CH:27]([CH2:26][CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[CH2:31][N:32]([O:33][CH:34]2[O:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH:40]=[O:41])=[O:29])[c:5]([F:18])[c:6]([N:8]2[CH2:9][C:10]3([CH2:11][CH2:12]3)[CH:13]([N:15]([CH3:16])[CH3:17])[CH2:14]2)[n:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 181649HOAtHCID 76652353HCID 76652353, compoundHCID 87210171HCID 87210171, compound

Product 1

HCID 178482975HCID 178482975, compound

Sources & evidence

ORD record
ord-c784192fc3e240bbaa6ec0203df63080
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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