3-Fluoroaniline → HCID 59352218, compound
Reaction equation
[CH:9]1([CH2:10][NH2:11])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]([F:7])[cH:8]1.[O:17]=[C:18]1[N:19]([CH2:38][c:39]2[cH:40][cH:41][c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[C:26]12[c:27]1[c:28]([cH:31][c:32]3[c:36]([cH:37]1)[CH2:35][CH2:34][O:33]3)[O:29][CH2:30]2.[O:48]=[C:49]1[C:50]2([CH2:51][O:52][c:53]3[cH:54][c:55]4[c:56]([cH:57][c:58]32)[CH2:59][CH2:60][O:61]4)[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[N:68]1[CH2:69][c:70]1[cH:71][c:72]([C:76]([OH:77])=[O:78])[cH:73][cH:74][cH:75]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]([F:7])[cH:8]1)[C:43]([c:42]1[cH:41][cH:40][c:39]([CH2:38][N:19]2[C:18](=[O:17])[C:26]3([c:25]4[c:20]2[cH:21][cH:22][cH:23][cH:24]4)[c:27]2[c:28]([cH:31][c:32]4[c:36]([cH:37]2)[CH2:35][CH2:34][O:33]4)[O:29][CH2:30]3)[cH:47][cH:46]1)=[O:44]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-d75f4200a0874ae69f223367c09daf72
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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