Bromide ion → HCID 178453363, compound
Reaction equation
[Br-:60].[C:48]([CH:49]([CH:50]([C:51]([O-:52])=[O:53])[OH:54])[OH:55])([O-:56])=[O:57].[C:61](#[N:62])[c:63]1[cH:64][c:65]([CH2:66][P+:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([O:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][CH:25]([C:26]([O:27][CH3:28])=[O:29])[NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:22][cH:23]2)[CH2:15][CH2:16]1.[CH2:39]([Al+:40][CH2:41][CH:42]([CH3:43])[CH3:44])[CH:45]([CH3:46])[CH3:47].[CH2:89]1[CH2:90][CH2:91][C:92]2=[N:97][CH2:96][CH2:95][CH2:94][N:93]2[CH2:98][CH2:99]1.[CH3:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[CH3:107][CH2:108][CH2:109][CH2:110][CH2:111][CH3:112].[CH3:113][CH2:114][OH:115].[CH3:121][CH2:122][O:123][C:124](=[O:125])[CH3:126].[CH3:127][OH:128].[H-:38].[K+:59].[Na+:58].[O:116]1[CH2:117][CH2:118][CH2:119][CH2:120]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([O:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][CH:25]([CH:26]=[CH:66][c:65]3[cH:64][c:63]([C:61]#[N:62])[cH:88][cH:87][cH:86]3)[NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:22][cH:23]2)[CH2:15][CH2:16]1Participants
16
Reactant 15
HCID 259Bromide ion
HCID 702Ethanol
HCID 813Potassium Cation
HCID 887Methanol
HCID 923Sodium ion
HCID 1140Toluene
HCID 8028Tetrahydrofuran
HCID 8058Hexane
HCID 8857Ethyl Acetate
HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene
HCID 166653Hydride
HCID 4941553-((Triphenylphosphoranyl)methyl)benzonitrile
HCID 38061142,3-Dihydroxybutanedioate
HCID 16686348Bis(2-methylpropyl)alumanylium
HCID 178499943HCID 178499943, compoundProduct 1
Sources & evidence
- ORD record
- ord-cdaea06661134a64b12a0982db708c5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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