2,5-Difluorobenzaldehyde → HCID 178452502, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:33][N:34]=[N+:35]=[N-:36])[CH2:10][CH:11]([S:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:12]1.[C:37]([O:38][C:39]([N:40]1[CH2:41][CH:42]([S:43][C:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[CH2:63][CH:64]1[CH2:65][NH2:66])=[O:67])([CH3:68])([CH3:69])[CH3:70].[F:71][c:72]1[c:73]([CH:74]=[O:75])[cH:76][c:77]([F:80])[cH:78][cH:79]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:33][NH:34][CH2:74][c:73]2[c:72]([F:71])[cH:79][cH:78][c:77]([F:80])[cH:76]2)[CH2:10][CH:11]([S:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:12]1Participants
4
Sources & evidence
- ORD record
- ord-b72e0ba0b269491e85210ca2d3976eff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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