Chloride → HCID 178491957, compound

HRID 123927Notes

Reaction equation

HRID 123927 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:35])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:33][CH3:34])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:32])[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:22]([CH3:24])[CH2:23]3)[n:17]2)[cH:6][cH:7]1.[CH3:36][c:37]1[cH:38][c:39]([B:42]([OH:43])[OH:44])[s:40][cH:41]1.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl-:45].[Cl:46][CH2:47][Cl:48].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:67]>>[c:2]1(-[c:39]2[cH:38][c:37]([CH3:36])[cH:41][s:40]2)[cH:3][c:4]([Cl:35])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:33][CH3:34])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:32])[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:22]([CH3:24])[CH2:23]3)[n:17]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27343734-Methylthiophene-2-boronic acidHCID 178491955HCID 178491955, compound

Product 1

HCID 178491957HCID 178491957, compound

Sources & evidence

ORD record
ord-8e3c32e19a1b4e5b9eb1bb0cfacf1bdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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