Diclofenac → HCID 70585059, compound
Reaction equation
[CH3:71][N:72]([CH3:73])[c:74]1[cH:75][cH:76][n:77][cH:78][cH:79]1.[CH:51]1([N:52]=[C:53]=[N:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[Cl:32][c:33]1[c:34]([NH:40][c:41]2[c:42]([CH2:47][C:48](=[O:49])[OH:50])[cH:43][cH:44][cH:45][cH:46]2)[c:35]([Cl:39])[cH:36][cH:37][cH:38]1.[NH2:1][c:2]1[c:3]([Br:31])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][N:11]([CH2:12][CH2:13][OH:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][c:20]1[CH2:21][N:22]([CH2:23][CH3:24])[CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1>>[NH2:1][c:2]1[c:3]([Br:31])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][N:11]([CH2:12][CH2:13][O:14][C:48]([CH2:47][c:42]2[c:41]([NH:40][c:34]3[c:33]([Cl:32])[cH:38][cH:37][cH:36][c:35]3[Cl:39])[cH:46][cH:45][cH:44][cH:43]2)=[O:49])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][c:20]1[CH2:21][N:22]([CH2:23][CH3:24])[CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1Participants
6
Sources & evidence
- ORD record
- ord-0ffa482e4c3c4225a0d3064bfaf28a76
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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