Ethanol → HCID 178493258, compound
Reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[cH:16][c:17]([CH2:21][S:22][c:23]3[nH:24][n:25][c:26]([NH2:28])[n:27]3)[cH:18][cH:19][cH:20]2)=[O:29])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:30][CH2:31][OH:32].[CH3:33][N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[N:40]#[C:41][Br:42]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[cH:16][c:17]([CH2:21][S:22][c:23]3[nH:24][n:25][c:26]([NH:28][C:33]#[N:34])[n:27]3)[cH:18][cH:19][cH:20]2)=[O:29])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]Participants
6
Sources & evidence
- ORD record
- ord-559e923bb3f642219d4a469085ccf87e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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