Indomethacin → HCID 9849567, compound
Reaction equation
[B-:26]([F:27])([F:28])([F:29])[F:30].[CH:48]1([NH:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[CH:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH2:66][CH3:67])([CH3:68])[CH3:69].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[n:8]2[c:9]([CH3:23])[c:10]([CH2:19][C:20](=[O:21])[OH:22])[c:11]3[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]23)[cH:24][cH:25]1.[Cl:70][CH2:71][Cl:72].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[n:8]2[c:9]([CH3:23])[c:10]([CH2:19][C:20](=[O:21])[N:54]([CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[CH:55]3[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]3)[c:11]3[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]23)[cH:24][cH:25]1Participants
7
Sources & evidence
- ORD record
- ord-a70ece6f8b8649008791f1a150335bed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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