Ethanol → HCID 178522226, compound

HRID 1557913Notes

Reaction equation

HRID 1557913 reaction equation
[C:45](#[N:46])[CH3:47].[CH2:42]([Cl:43])[Cl:44].[CH3:39][CH2:40][OH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([F:38])[c:6]2[c:11]1[O:10][CH2:9][CH:8]1[CH:7]2[CH:12]1[NH:13][C:14](=[O:15])[NH:16][c:17]1[n:18][cH:19][c:20]([O:23][c:24]2[cH:25][cH:26][c:27]([N:30]([SH:31](=[O:32])=[O:33])[C:34]([CH3:35])([CH3:36])[CH3:37])[cH:28][cH:29]2)[cH:21][cH:22]1.[S:48]([OH:49])([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55]>>[F:1][c:2]1[cH:3][cH:4][c:5]([F:38])[c:6]2[c:11]1[O:10][CH2:9][CH:8]1[CH:7]2[CH:12]1[NH:13][C:14](=[O:15])[NH:16][c:17]1[n:18][cH:19][c:20]([O:23][c:24]2[cH:25][cH:26][c:27]([NH:30][SH:31](=[O:32])=[O:33])[cH:28][cH:29]2)[cH:21][cH:22]1

Participants

6

Reactant 5

HCID 702EthanolHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 62406Trifluoromethanesulfonic acidHCID 178448809HCID 178448809, compound

Product 1

HCID 178522226HCID 178522226, compound

Sources & evidence

ORD record
ord-ac39a01db17340b2a1cb33a3b6206398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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