Ethanol → HCID 69000600, compound
Reaction equation
[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][CH2:38][OH:39].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[cH:15][cH:16]1.[Na+:21].[O-:17][C:18]([OH:19])=[O:20].[OH2:40].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([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)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[cH:116][cH:117]1.[s:22]1[cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1>>[c:2]1(-[c:24]2[cH:23][s:22][cH:26][cH:25]2)[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[cH:15][cH:16]1Participants
9
Sources & evidence
- ORD record
- ord-cf161b373e434be1a382823ed99e7906
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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