HCID 22347460, compound → HCID 68787025, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([S:19](=[O:20])(=[O:21])[NH2:22])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][C:31]([c:32]1[c:33]([NH:34][C:35](=[O:36])[O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][c:45]([Cl:48])[cH:46][cH:47]1)=[O:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([S:19](=[O:20])(=[O:21])[NH:22][C:35]([NH:34][c:33]2[c:32]([C:31]([O:30][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)=[O:49])[cH:47][cH:46][c:45]([Cl:48])[cH:44]2)=[O:36])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
3
Sources & evidence
- ORD record
- ord-92fd44fa4e3f4558a4b85dac6a1efa27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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