Methanol → HCID 178441692, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[c:40](-[c:45]4[n:46][n:47][n:48][n:49]4[C:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)([c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[cH:41][cH:42][cH:43][cH:44]3)[cH:37][cH:38]2)[c:7]([C:11](=[O:12])[O:13][CH:14]([CH3:15])[O:16][C:17]([CH2:18][CH2:19][CH2:20][CH:21]([CH2:22][O:23][N+:24](=[O:25])[O-:26])[O:27][N+:28](=[O:29])[O-:30])=[O:31])[c:8]([Cl:10])[n:9]1.[CH3:69][OH:70]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[c:40](-[c:45]4[n:46][n:47][n:48][nH:49]4)[cH:41][cH:42][cH:43][cH:44]3)[cH:37][cH:38]2)[c:7]([C:11](=[O:12])[O:13][CH:14]([CH3:15])[O:16][C:17]([CH2:18][CH2:19][CH2:20][CH:21]([CH2:22][O:23][N+:24](=[O:25])[O-:26])[O:27][N+:28](=[O:29])[O-:30])=[O:31])[c:8]([Cl:10])[n:9]1Participants
3
Sources & evidence
- ORD record
- ord-ff66709d49d0414fb096f66ab37324d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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