Water → HCID 68892905, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[c:11]([c:12]([CH3:15])[n:13][cH:14]2)[O:16][C:17]([CH3:20])([CH3:21])[O:18][CH2:19]3)[n:6][cH:7]1.[C:22](=[O:23])([O-:24])[O-:25].[C:28]([CH3:29])([CH3:30])([CH3:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[c:37]([B:42]([OH:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]1.[CH2:130]([OH:131])[CH:132]([CH3:133])[CH3:134].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cs+:26].[Cs+:27].[OH2:52].[Pd:53].[c:111]1([P:112]([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)[cH:125][cH:126][cH:127][cH:128][cH:129]1.[c:54]1([P:55]([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)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([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)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([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)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:37]2[c:36]([S:33]([NH:32][C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:34])=[O:35])[cH:41][cH:40][cH:39][cH:38]2)[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[c:11]([c:12]([CH3:15])[n:13][cH:14]2)[O:16][C:17]([CH3:20])([CH3:21])[O:18][CH2:19]3)[n:6][cH:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-c56f7057d8ca46ec9d39c42bb457419e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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