Water → HCID 178514708, compound
Reaction equation
[Br:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][O:48][CH2:49][CH2:50][CH2:51][c:52]1[cH:53][c:54]([S:58](=[O:59])(=[O:60])[NH2:61])[cH:55][cH:56][cH:57]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][CH:10]([OH:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:30])[nH:17][c:18]2[c:19]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:20][cH:21]1.[CH3:62][C:63]#[N:64].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[OH2:65]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH:10]([OH:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:30])[nH:17][c:18]2[c:19]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:20][cH:21]1)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][O:48][CH2:49][CH2:50][CH2:51][c:52]1[cH:53][c:54]([S:58](=[O:59])(=[O:60])[NH2:61])[cH:55][cH:56][cH:57]1Participants
6
Sources & evidence
- ORD record
- ord-65b7eabffa724fb990be8e5615401e77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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