HCID 44539193, compound → HCID 44539194, compound
Reaction equation
[CH2:1]([O:2][C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([c:11]2[n:12]3[c:13]([c:14]([NH2:15])[n:16][cH:17][n:18]3)[c:19](-[c:28]3[cH:29][cH:30][c:31]([O:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:32][cH:33]3)[n:20]2)[CH2:21][CH2:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:41]1.[CH3:42][O:43][C:44](=[O:45])[CH:46]1[CH2:47][CH2:48][CH:49]([c:52]2[n:53][c:54]([I:62])[c:55]3[c:56]([NH2:61])[n:57][cH:58][n:59][n:60]23)[CH2:50][CH2:51]1>>[c:28]1(-[c:54]2[n:53][c:52]([CH:49]3[CH2:48][CH2:47][CH:46]([C:44]([O:43][CH3:42])=[O:45])[CH2:51][CH2:50]3)[n:60]3[c:55]2[c:56]([NH2:61])[n:57][cH:58][n:59]3)[cH:29][cH:30][c:31]([O:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:32][cH:33]1Participants
3
Sources & evidence
- ORD record
- ord-7f8854e5ebfa403e85126768fd1900e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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