Dimethyl Sulfoxide → HCID 54689825, compound
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:50][S:51]([CH3:52])=[O:53].[CH3:54][OH:55].[Cs+:37].[Cs+:38].[N:21]#[N:22].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:133].[OH:1][c:2]1[c:3]2[c:4]([nH:5][c:6](=[O:10])[c:7]1[C:8]#[N:9])[s:11][cH:12][c:13]2-[c:14]1[s:15][c:16]([I:20])[c:17]([CH3:19])[cH:18]1.[OH:23][c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[OH:1][c:2]1[c:3]2[c:4]([nH:5][c:6](=[O:10])[c:7]1[C:8]#[N:9])[s:11][cH:12][c:13]2-[c:14]1[s:15][c:16](-[c:27]2[cH:26][cH:25][c:24]([OH:23])[cH:29][cH:28]2)[c:17]([CH3:19])[cH:18]1Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-6532ea59fd2240c4a0dd8233d822f182
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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