Methanol → HCID 178473357, compound
Reaction equation
[CH2:73]([Cl:74])[Cl:75].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:66][N:67]([CH:68]=[O:69])[CH3:70].[CH3:71][OH:72].[CH:11]1([N:12]=[C:13]=[N:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[CH:33]1([CH2:36][n:37]2[c:38]3[n:39][c:40](-[c:59]4[cH:60][n:61][c:62]([NH2:65])[n:63][cH:64]4)[n:41][c:42]([N:53]4[CH2:54][CH2:55][O:56][CH2:57][CH2:58]4)[c:43]3[n:44][c:45]2[N:46]2[CH2:47][CH:48]([CH3:52])[NH:49][CH2:50][CH2:51]2)[CH2:34][CH2:35]1.[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[OH:1][CH:31]([CH3:32])[C:68]([N:49]1[CH:48]([CH3:52])[CH2:47][N:46]([c:45]2[n:37]([CH2:36][CH:33]3[CH2:34][CH2:35]3)[c:38]3[n:39][c:40](-[c:59]4[cH:60][n:61][c:62]([NH2:65])[n:63][cH:64]4)[n:41][c:42]([N:53]4[CH2:54][CH2:55][O:56][CH2:57][CH2:58]4)[c:43]3[n:44]2)[CH2:51][CH2:50]1)=[O:69]Participants
8
Sources & evidence
- ORD record
- ord-fb084ffde0b84bef8546eb5c1206608b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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