1,1-Dichloroethane → HCID 178440434, compound

HRID 1237576Notes

Reaction equation

HRID 1237576 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([CH2:25][CH2:26][CH3:27])[c:11](-[c:13]3[n:14][s:15][c:16]([NH:18][c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[n:17]3)[cH:12]2)[cH:28][cH:29]1.[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][n:37]2[c:38]([CH2:39][CH2:40][CH3:41])[c:42](-[c:43]3[n:44][c:45]([NH:46][c:47]4[cH:48][cH:49][cH:50][cH:51][n:52]4)[s:53][n:54]3)[cH:55][n:56]2)[cH:57][cH:58]1.[Cl:66][CH:67]([Cl:68])[CH3:69].[F:59][C:60]([F:61])([F:62])[C:63]([OH:64])=[O:65]>>[nH:8]1[n:9][c:10]([CH2:25][CH2:26][CH3:27])[c:11](-[c:13]2[n:14][s:15][c:16]([NH:18][c:19]3[n:20][cH:21][cH:22][cH:23][cH:24]3)[n:17]2)[cH:12]1

Participants

5

Reactant 4

HCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 68610342HCID 68610342, compoundHCID 68610987HCID 68610987, compound

Product 1

HCID 178440434HCID 178440434, compound

Sources & evidence

ORD record
ord-35eac13cdcae46bfbfa37bffb49bdb68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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