Water → HCID 19846218, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([CH2:12][CH:13]([NH2:14])[C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20]2)[n:6][cH:7]1.[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[O:35][N:36]=[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[C:44]#[N:45].[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[OH2:52]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([CH2:12][CH:13]([NH:14][C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20]2)[n:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-7f5cec15b9fd4475baf81dfa41c4a286
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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