Ethanol → HCID 21186251, compound
Reaction equation
[CH3:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[CH3:44][CH2:45][OH:46].[CH3:7][O:8][B:9]([c:10]1[cH:11][n:12][cH:13][cH:14][cH:15]1)[O:16][CH3:17].[I:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[n:26][cH:27][cH:28][cH:29][c:30]2[S:31](=[O:32])(=[O:33])[NH:34][c:35]2[n:36][cH:37][c:38]([CH3:43])[n:39][c:40]2[O:41][CH3:42])[cH:23][cH:24]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:10]1(-[c:19]2[cH:20][cH:21][c:22](-[c:25]3[n:26][cH:27][cH:28][cH:29][c:30]3[S:31](=[O:32])(=[O:33])[NH:34][c:35]3[n:36][cH:37][c:38]([CH3:43])[n:39][c:40]3[O:41][CH3:42])[cH:23][cH:24]2)[cH:11][n:12][cH:13][cH:14][cH:15]1Participants
9
Sources & evidence
- ORD record
- ord-55661d31a13949ea9b575425ef01c457
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…