HCID 19762492, compound → HCID 178491105, compound
Reaction equation
[C:25](#[N:26])[NH:27][C:28]([O:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[N:36][CH2:37][CH2:38][S:39][CH2:40][c:41]1[n:42][c:43]([NH:46][C:47](=[NH:48])[NH2:49])[s:44][cH:45]1.[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][NH2:21])[CH3:22])[cH:23][cH:24]1>>[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][N:21]=[C:28]([NH:27][C:25]#[N:26])[NH:36][CH2:37][CH2:38][S:39][CH2:40][c:41]2[n:42][c:43]([NH:46][C:47](=[NH:48])[NH2:49])[s:44][cH:45]2)[CH3:22])[cH:23][cH:24]1Participants
3
Sources & evidence
- ORD record
- ord-5ea69cd89ece4f33bf3e8bb9350d6e9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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