Methanol → HCID 178491023, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][c:21]2[c:22]3[n:23][cH:24][n:25]([CH:30]4[CH2:31][CH:32]([OH:33])[CH:34]([CH2:36][OH:37])[O:35]4)[c:26]3[n:27][cH:28][n:29]2)[cH:38][cH:39]1.[CH3:40][O:41][c:42]1[cH:43][cH:44][c:45]([C:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[Cl:59])[cH:60][cH:61]1.[CH3:62][OH:63].[cH:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][c:21]2[c:22]3[n:23][cH:24][n:25]([CH:30]4[CH2:31][CH:32]([OH:33])[CH:34]([CH2:36][O:37][C:46]([c:45]5[cH:44][cH:43][c:42]([O:41][CH3:40])[cH:61][cH:60]5)([c:47]5[cH:48][cH:49][cH:50][cH:51][cH:52]5)[c:53]5[cH:54][cH:55][cH:56][cH:57][cH:58]5)[O:35]4)[c:26]3[n:27][cH:28][n:29]2)[cH:38][cH:39]1Participants
5
Sources & evidence
- ORD record
- ord-76de1dfca6804480a3afd213fa6a3b0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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