Ethanol → HCID 57452383, compound
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH:9]2[CH2:10][CH2:11][N:12]3[CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]3)[n:6][cH:7]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][OH:45].[Na+:34].[Na+:35].[OH2:46].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1.[nH:18]1[cH:19][cH:20][c:21]2[cH:22][c:23]([B:27]([OH:28])[OH:29])[cH:24][cH:25][c:26]12>>[c:2]1(-[c:23]2[cH:22][c:21]3[cH:20][cH:19][nH:18][c:26]3[cH:25][cH:24]2)[cH:3][n:4][c:5]([O:8][CH:9]2[CH2:10][CH2:11][N:12]3[CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]3)[n:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-f5ff853ac6144a43af47c5376e4064b5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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