Ethanol → HCID 178491102, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][NH2:24])[CH3:25])[cH:26][cH:27]1.[CH3:60][CH2:61][OH:62].[CH:28]1([N:29]=[C:30]=[N:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[NH:43]([C:44](=[NH:45])[NH2:46])[c:47]1[s:48][cH:49][c:50]([CH2:52][S:53][CH2:54][CH2:55][NH2:56])[n:51]1.[S:57]=[C:58]=[S:59]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][NH:24][C:58]([NH:56][CH2:55][CH2:54][S:53][CH2:52][c:50]2[cH:49][s:48][c:47]([NH:43][C:44](=[NH:45])[NH2:46])[n:51]2)=[S:57])[CH3:25])[cH:26][cH:27]1Participants
6
Sources & evidence
- ORD record
- ord-ab9b242550884545bead5a0ace0564e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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