Water → HCID 67008776, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[n:6]1[n:7][c:8]2[c:9]([c:10]1[NH:11][C:12]([c:13]1[c:14]([NH2:26])[cH:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[cH:17][cH:18]1)=[O:27])[CH2:28][N:29]([S:33](=[O:34])(=[O:35])[c:36]1[cH:37][c:38]([F:43])[cH:39][c:40]([F:42])[cH:41]1)[C:30]2([CH3:31])[CH3:32].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[O:53]1[CH2:54][CH2:55][N:56]([C:59](=[O:60])[Cl:61])[CH2:57][CH2:58]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:67]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[n:6]1[n:7][c:8]2[c:9]([c:10]1[NH:11][C:12]([c:13]1[c:14]([NH:26][C:59]([N:56]3[CH2:55][CH2:54][O:53][CH2:58][CH2:57]3)=[O:60])[cH:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[cH:17][cH:18]1)=[O:27])[CH2:28][N:29]([S:33](=[O:34])(=[O:35])[c:36]1[cH:37][c:38]([F:43])[cH:39][c:40]([F:42])[cH:41]1)[C:30]2([CH3:31])[CH3:32]Participants
6
Sources & evidence
- ORD record
- ord-63be90e1640346329d90cb88249e8a9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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