1,2-Dichloroethane → HCID 178432014, compound

HRID 1137219Notes

Reaction equation

HRID 1137219 reaction equation
[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][N:12]([O:13][CH:14]2[O:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[CH:20]=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:22][c:23]1[n:24][c:25]([N:32]2[CH2:33][C:34]([N:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)([CH3:41])[CH2:35]2)[c:26]([F:31])[c:27]([NH:29][NH2:30])[n:28]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:30][NH:29][c:27]2[c:26]([F:31])[c:25]([N:32]3[CH2:33][C:34]([N:36]4[CH2:37][CH2:38][CH2:39][CH2:40]4)([CH3:41])[CH2:35]3)[n:24][c:23]([Cl:22])[n:28]2)[CH2:11][N:12]([O:13][CH:14]2[O:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[CH:20]=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 181649HOAtHCID 76652353HCID 76652353, compoundHCID 86636992HCID 86636992, compound

Product 1

HCID 178432014HCID 178432014, compound

Sources & evidence

ORD record
ord-e1e9a7bdf1174605be3933768356d224
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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