HCID 67385776, compound → HCID 59244440, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([S:5]([N:6]([C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[CH2:14][CH2:15][OH:16])(=[O:17])=[O:18])[cH:19][cH:20][cH:21]1.[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][N:29]([c:30]2[n:31][cH:32][c:33](-[c:36]3[c:37]4[c:38]([n:39][c:40]([N:42]5[CH2:43][CH2:44][O:45][CH2:46][CH2:47]5)[n:41]3)[N:48]([c:51]3[cH:52][c:53]([S:57](=[O:58])(=[O:59])[NH:60][CH2:61][CH2:62][OH:63])[cH:54][cH:55][cH:56]3)[CH2:49][CH2:50]4)[cH:34][n:35]2)[CH2:64][c:65]2[cH:66][cH:67][c:68]([O:69][CH3:70])[cH:71][cH:72]2)[cH:73][cH:74]1>>[NH2:29][c:30]1[n:31][cH:32][c:33](-[c:36]2[c:37]3[c:38]([n:39][c:40]([N:42]4[CH2:43][CH2:44][O:45][CH2:46][CH2:47]4)[n:41]2)[N:48]([c:51]2[cH:52][c:53]([S:57](=[O:58])(=[O:59])[NH:60][CH2:61][CH2:62][OH:63])[cH:54][cH:55][cH:56]2)[CH2:49][CH2:50]3)[cH:34][n:35]1Participants
3
Sources & evidence
- ORD record
- ord-c37718940fb04786b8a904bdc949d9bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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