HCID 21249060, compound → HCID 178525029, compound
Reaction equation
[Br:45][C:46]1([C:52](=[O:53])[O:54][CH2:55][c:56]2[cH:57][cH:58][c:59]([N+:62](=[O:63])[O-:64])[cH:60][cH:61]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[N:43][OH:44])[n:25]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[N:43][O:44][C:46]2([C:52](=[O:53])[O:54][CH2:55][c:56]3[cH:57][cH:58][c:59]([N+:62](=[O:63])[O-:64])[cH:60][cH:61]3)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[n:25]1Participants
3
Sources & evidence
- ORD record
- ord-11c036477fca4d6e8ca80a90de458a95
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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