HCID 19428552, compound → HCID 178421734, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][C:13]([CH:14]2[CH:15]([CH3:34])[CH2:16][CH:17]3[CH:18]4[CH2:19][CH2:20][C:21]5=[CH:22][C:23](=[O:33])[CH:24]=[CH:25][C:26]5([CH3:27])[C:28]4=[CH:29][CH2:30][C:31]23[CH3:32])=[O:35])(=[O:8])=[O:9])[cH:10][cH:11]1.[C:36]12([NH:46][c:47]3[n:48][c:49]([N:59]4[CH2:60][CH2:61][CH2:62][CH2:63]4)[cH:50][c:51]([N:53]4[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]4)[n:52]3)[CH2:37][CH:38]3[CH2:39][CH:40]([CH2:41][CH:42]([CH2:43]1)[CH2:44]3)[CH2:45]2>>[CH2:12]([C:13]([CH:14]1[CH:15]([CH3:34])[CH2:16][CH:17]2[CH:18]3[CH2:19][CH2:20][C:21]4=[CH:22][C:23](=[O:33])[CH:24]=[CH:25][C:26]4([CH3:27])[C:28]3=[CH:29][CH2:30][C:31]12[CH3:32])=[O:35])[N:56]1[CH2:55][CH2:54][N:53]([c:51]2[cH:50][c:49]([N:59]3[CH2:60][CH2:61][CH2:62][CH2:63]3)[n:48][c:47]([NH:46][C:36]34[CH2:37][CH:38]5[CH2:39][CH:40]([CH2:41][CH:42]([CH2:43]3)[CH2:44]5)[CH2:45]4)[n:52]2)[CH2:58][CH2:57]1Participants
3
Sources & evidence
- ORD record
- ord-e67d502a66004f928811dd17813dd6db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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