1,2-Dichloroethane → HCID 21086399, compound

HRID 1206126Notes

Reaction equation

HRID 1206126 reaction equation
[C:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[O:7][CH2:6][O:5]2)(=[O:11])[OH:12].[CH2:13]([Cl:14])[CH2:15][Cl:16].[NH2:27][CH:28]([CH:29]([CH2:30][NH:31][CH2:32][c:33]1[cH:34][c:35]([CH2:39][CH3:40])[cH:36][cH:37][cH:38]1)[OH:41])[CH2:42][c:43]1[cH:44][c:45]([F:50])[cH:46][c:47]([F:49])[cH:48]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[C:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[O:7][CH2:6][O:5]2)(=[O:12])[NH:27][CH:28]([CH:29]([CH2:30][NH:31][CH2:32][c:33]1[cH:34][c:35]([CH2:39][CH3:40])[cH:36][cH:37][cH:38]1)[OH:41])[CH2:42][c:43]1[cH:44][c:45]([F:50])[cH:46][c:47]([F:49])[cH:48]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 71961,3-Benzodioxole-5-carboxylic acidHCID 757711-HydroxybenzotriazoleHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 21086399HCID 21086399, compound

Sources & evidence

ORD record
ord-5372643766d94f27a8376497beae5492
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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