Water → HCID 178496433, compound
Reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][S:8][CH2:9][CH:10]([NH:13][C:14]([CH:15]([O:16][CH3:17])[CH:18]2[O:19][C:20]([CH3:31])([CH3:32])[O:21][CH:22]([CH:25]=[CH:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH:23]2[OH:24])=[O:33])[C:11]1=[O:12])[CH3:34].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[OH2:35]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][S:8][CH2:9][CH:10]([NH:13][C:14]([CH:15]([O:16][CH3:17])[CH:18]([OH:19])[CH:23]([CH:22]([OH:21])[CH:25]=[CH:26][C:27]([CH3:28])([CH3:29])[CH3:30])[OH:24])=[O:33])[C:11]1=[O:12])[CH3:34]Participants
5
Sources & evidence
- ORD record
- ord-d42c7da6a5a741f08530ac1847a967dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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