Methanol → HCID 22565487, compound
Reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:39][OH:40].[Cl:41][CH2:42][Cl:43].[N+:6](=[O:7])([O-:8])[c:9]1[cH:10][cH:11][c:12]([C:15]([c:16]2[c:17]([CH2:25][CH:26]([CH3:27])[OH:28])[cH:18][c:19]3[c:20]([cH:24]2)[O:21][CH2:22][O:23]3)=[N:29][NH:30][c:31]2[n:32][cH:33][cH:34][cH:35][n:36]2)[cH:13][cH:14]1.[Na+:38].[OH-:37]>>[N+:6](=[O:7])([O-:8])[c:9]1[cH:10][cH:11][c:12]([C:15]2=[N:29][N:30]([c:31]3[n:32][cH:33][cH:34][cH:35][n:36]3)[CH:26]([CH3:27])[CH2:25][c:17]3[c:16]2[cH:24][c:20]2[c:19]([cH:18]3)[O:23][CH2:22][O:21]2)[cH:13][cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-f8623aef1317408cbe6fdb25aea08ff4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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