Acetate → HCID 58204233, compound
Reaction equation
[CH3:120][S:121]([CH3:122])=[O:123].[CH3:25][C:26](=[O:27])[O-:28].[CH3:29][c:30]1[n:31][cH:32][cH:33][cH:34][c:35]1[B:36]([OH:37])[OH:38].[CH3:39][C:40]#[N:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:23]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[cH:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2.[K+:24].[OH2:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:35]2[c:30]([CH3:29])[n:31][cH:32][cH:33][cH:34]2)[cH:3][cH:4][c:5]2[c:6]([n:23]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[cH:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2Participants
9
Sources & evidence
- ORD record
- ord-aefc45e3902f4366b2eee16431a07aa8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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