HCID 19762580, compound → HCID 178491103, compound
Reaction equation
[C:26](#[N:27])[NH:28][C:29]([O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[N:37][CH2:38][CH2:39][S:40][CH2:41][c:42]1[n:43][c:44]([NH:47][C:48](=[NH:49])[NH2:50])[s:45][cH:46]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][CH2:21][NH2:22])[CH3:23])[cH:24][cH:25]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][CH2:21][N:22]=[C:29]([NH:28][C:26]#[N:27])[NH:37][CH2:38][CH2:39][S:40][CH2:41][c:42]2[n:43][c:44]([NH:47][C:48](=[NH:49])[NH2:50])[s:45][cH:46]2)[CH3:23])[cH:24][cH:25]1Participants
3
Sources & evidence
- ORD record
- ord-824d0c1cfd05480cbc35a810897f26cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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