Chloride → HCID 66842178, compound

HRID 125427Notes

Reaction equation

HRID 125427 reaction equation
[Br:2][c:3]1[c:4]([SH:9])[cH:5][cH:6][cH:7][cH:8]1.[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15]([N:16]([CH3:17])[c:18]1[cH:19][cH:20][c:21]2[cH:22][cH:23][n:24]([CH2:27][c:28]3[cH:29][c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]3)[c:25]2[cH:26]1)=[O:36].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl-:1].[Cl:42][CH2:43][Cl:44].[Na+:37].[OH:38][C:39](=[O:40])[O-:41]>>[Br:2][c:3]1[c:4]([S:9][c:22]2[c:21]3[cH:20][cH:19][c:18]([N:16]([C:15]([O:14][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:36])[CH3:17])[cH:26][c:25]3[n:24]([CH2:27][c:28]3[cH:29][c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]3)[cH:23]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 805982-BromobenzenethiolHCID 66841803HCID 66841803, compound

Product 1

HCID 66842178HCID 66842178, compound

Sources & evidence

ORD record
ord-0852ed0b99734b86b2f9f7501edea0b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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