Acetate → HCID 11270031, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1.[Br:27][c:28]1[n:29]([CH3:52])[c:30]2[cH:31][c:32]([C:42](=[O:43])[NH:44][C:45]3([C:49](=[O:50])[OH:51])[CH2:46][CH2:47][CH2:48]3)[cH:33][cH:34][c:35]2[c:36]1[CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH2:71]([OH:72])[CH2:73][CH3:74].[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:58][C:59](=[O:60])[OH:61].[CH3:80][N:81]1[CH2:82][CH2:83][CH2:84][C:85]1=[O:86].[Cl-:53].[ClH:55].[NH4+:54].[Na+:57].[OH-:56].[Pd+2:66].[c:8]1([P:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:2]1(-[c:28]2[n:29]([CH3:52])[c:30]3[cH:31][c:32]([C:42](=[O:43])[NH:44][C:45]4([C:49](=[O:50])[OH:51])[CH2:46][CH2:47][CH2:48]4)[cH:33][cH:34][c:35]3[c:36]2[CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[cH:3][cH:4][cH:5][cH:6][n:7]1Participants
15
Reactant 14
HCID 175Acetate2×
HCID 176Acetic Acid
HCID 223Ammonium
HCID 312Chloride
HCID 313Hydrochloric Acid
HCID 923Sodium ion
HCID 961Hydroxide
HCID 10311-Propanol
HCID 79732-Bromopyridine
HCID 8028Tetrahydrofuran
HCID 11776Triphenylphosphine
HCID 13387N-methyl-2-pyrrolidone
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 11661699HCID 11661699, compoundProduct 1
Sources & evidence
- ORD record
- ord-37f7b3cc2c0645f78e02e59433f434c3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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