1,2-Dichloroethane → HCID 57075021, compound

HRID 667397Notes

Reaction equation

HRID 667397 reaction equation
[CH2:62]([Cl:63])[CH2:64][Cl:65].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[ClH:29].[ClH:30].[NH2:31][CH2:32][c:33]1[cH:34][c:35]2[c:36]([F:42])[cH:37][nH:38][c:39]2[n:40][cH:41]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:1][C:2]([CH2:3][N:4]1[CH2:5][CH:6]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH:7]([c:9]2[cH:10][c:11](=[O:20])[n:12]([CH2:16][C:17](=[O:18])[OH:19])[c:13]([CH3:15])[cH:14]2)[CH2:8]1)([CH3:27])[CH3:28].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[OH:1][C:2]([CH2:3][N:4]1[CH2:5][CH:6]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH:7]([c:9]2[cH:10][c:11](=[O:20])[n:12]([CH2:16][C:17](=[O:19])[NH:31][CH2:32][c:33]3[cH:34][c:35]4[c:36]([F:42])[cH:37][nH:38][c:39]4[n:40][cH:41]3)[c:13]([CH3:15])[cH:14]2)[CH2:8]1)([CH3:27])[CH3:28]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 12096229HCID 12096229, compoundHCID 23000177HCID 23000177, compound

Product 1

HCID 57075021HCID 57075021, compound

Sources & evidence

ORD record
ord-9e15f7fe677949e5979667f4c0bd418e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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