Methanol → HCID 68681026, compound
Reaction equation
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH3:1][C:2]([CH2:3][NH:4][CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)=[CH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:20][O:21][c:22]1[cH:23][c:24]([C:32]([OH:33])=[O:34])[cH:25][c:26]([O:27][CH3:28])[c:29]1[O:30][CH3:31].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:64][OH:65].[CH:66]([Cl:67])([Cl:68])[Cl:69].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:1][C:2]([CH2:3][N:4]([CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[C:32]([c:24]1[cH:23][c:22]([O:21][CH3:20])[c:29]([O:30][CH3:31])[c:26]([O:27][CH3:28])[cH:25]1)=[O:33])=[CH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1Participants
8
Sources & evidence
- ORD record
- ord-1bfc85cd86574c2cbf3b0dab059b5b05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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