Water → HCID 86603133, compound
Reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[Cl:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][nH:38][c:39]2[c:40]([C:42](=[O:43])[OH:44])[cH:41]1.[F:45][c:46]1[cH:47][cH:48][c:49]([CH2:52][CH2:53][NH:54][CH2:55][c:56]2[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][cH:61]2)[cH:50][cH:51]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:8]([F:9])([F:10])([F:11])([F:12])([F:13])[F:14].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[Cl:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][nH:38][c:39]2[c:40]([C:42](=[O:44])[N:54]([CH2:53][CH2:52][c:49]2[cH:48][cH:47][c:46]([F:45])[cH:51][cH:50]2)[CH2:55][c:56]2[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][cH:61]2)[cH:41]1Participants
8
Sources & evidence
- ORD record
- ord-89c5e5fb918e469ab740ec6b33c4051f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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