Acetate → HCID 24970006, compound
Reaction equation
[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[c:30]3[cH:31][n:32][nH:33][c:34]3[cH:35][cH:36][cH:37]2)[O:38]1.[CH3:40][C:41](=[O:42])[O-:43].[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[OH:14])[o:10]2.[K+:39].[Pd:47]([Cl:48])[Cl:49].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:2]1(-[c:29]2[c:30]3[cH:31][n:32][nH:33][c:34]3[cH:35][cH:36][cH:37]2)[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[OH:14])[o:10]2Participants
8
Sources & evidence
- ORD record
- ord-7c7b63d6275943eaa9247c1e95c4c5a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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