Water → HCID 66914349, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:35]([F:36])([F:37])[F:38])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[cH:21][cH:22][cH:23]1.[CH3:39][O:40][C:41]([CH2:42][NH2:43])=[O:44].[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[CH3:69][C:70]#[N:71].[Cl:66][CH2:67][Cl:68].[OH2:72].[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:35]([F:36])([F:37])[F:38])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:43][CH2:42][C:41]([O:40][CH3:39])=[O:44])[cH:33][cH:34]2)[cH:21][cH:22][cH:23]1Participants
8
Sources & evidence
- ORD record
- ord-596f4be41aed4736b5f56de062764f6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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