Water → HCID 86625484, compound
Reaction equation
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl:1][c:2]1[n:3][c:4]([N:7]2[CH2:8][CH2:9][CH:10]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:11][CH2:12]2)[n:5][s:6]1.[F:21][C:22]([F:23])([F:24])[C:25]([OH:26])=[O:27].[OH2:53].[o:28]1[n:29][c:30]([NH:37][C:38](=[O:39])[N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2>>[c:2]1([N:43]2[CH2:42][CH2:41][N:40]([C:38]([NH:37][c:30]3[n:29][o:28][c:32]4[c:31]3[cH:36][cH:35][cH:34][cH:33]4)=[O:39])[CH2:45][CH2:44]2)[n:3][c:4]([N:7]2[CH2:8][CH2:9][CH:10]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:11][CH2:12]2)[n:5][s:6]1Participants
7
Sources & evidence
- ORD record
- ord-db401caa1d35443db6cee283aeb19a7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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