Acetate → HCID 178493158, compound
Reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][O:2][c:3]1[c:4]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:21][C:22](=[O:23])[O-:24].[CH3:25][O:26][c:27]1[cH:28][c:29]([CH2:33][CH2:34][c:35]2[n:36][c:37]3[c:38]([n:39][cH:40][c:41]([I:43])[cH:42]3)[nH:44]2)[n:30][cH:31][cH:32]1.[Cl-:52].[K+:20].[K+:49].[K+:50].[Li+:51].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[Pd:60].[c:118]1([P:119]([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133][cH:134][cH:135][cH:136]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[CH3:1][O:2][c:3]1[c:4]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16](-[c:41]3[cH:40][n:39][c:38]4[c:37]([n:36][c:35]([CH2:34][CH2:33][c:29]5[cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31][n:30]5)[nH:44]4)[cH:42]3)[cH:17][cH:18]2)[cH:5][cH:6][cH:7][cH:8]1Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-5881f9f6b0514162be37242e47134b57
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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