Bromide ion → HCID 68805947, compound

HRID 148141Notes

Reaction equation

HRID 148141 reaction equation
[BH:27]([OH:28])[OH:29].[Br-:44].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[c:16]([C:22]([F:23])([F:24])[F:25])[cH:17][c:18]([Br:21])[cH:19][cH:20]2)=[O:26])[CH2:10][CH2:11][CH2:12]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:30][S:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:45][CH2:46][CH2:47][CH2:48][N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Na+:42].[Na+:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[c:16]([C:22]([F:23])([F:24])[F:25])[cH:17][c:18](-[c:33]3[c:32]([S:31][CH3:30])[cH:37][cH:36][cH:35][cH:34]3)[cH:19][cH:20]2)=[O:26])[CH2:10][CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ion2×HCID 1140TolueneHCID 7520ThioanisoleHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 68808135HCID 68808135, compound

Product 1

HCID 68805947HCID 68805947, compound

Sources & evidence

ORD record
ord-4c06c95af4de47178d3c9887bb929e1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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