Acetate → HCID 58709960, compound
Reaction equation
[CH3:39][C:40](=[O:41])[O-:42].[I:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[nH:17][c:18]([C:20]2=[CH:25][CH2:24][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:22][CH2:21]2)[cH:19]3)[cH:5][cH:6][c:7]1[O:8][CH3:9].[K+:38].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[Pd:48].[c:106]1([P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1.[cH:33]1[cH:34][s:35][cH:36][n:37]1>>[c:2]1(-[c:34]2[cH:33][n:37][cH:36][s:35]2)[cH:3][c:4]([NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[nH:17][c:18]([C:20]2=[CH:25][CH2:24][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:22][CH2:21]2)[cH:19]3)[cH:5][cH:6][c:7]1[O:8][CH3:9]Participants
8
Sources & evidence
- ORD record
- ord-6ca54a59e6cb430c970573f10d0a01e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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