Ethanol → HCID 69041156, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([N:13]4[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]4)[CH2:12]3)[s:8]2)[cH:19][cH:20]1.[CH2:91]([OH:92])[CH3:93].[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][n:31][n:32]([C:34]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[cH:33]2)[O:53]1.[CH:54]1([P:55]([CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2-[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[Na+:79].[Na+:80].[O-:81][C:82](=[O:83])[O-:84].[O:85]1[CH2:86][CH2:87][O:88][CH2:89][CH2:90]1>>[c:2]1(-[c:29]2[cH:30][n:31][n:32]([C:34]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[cH:33]2)[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([N:13]4[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]4)[CH2:12]3)[s:8]2)[cH:19][cH:20]1Participants
8
Sources & evidence
- ORD record
- ord-6ca3739acb6946babc2190de9fb264c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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