HCID 66757871, compound → HCID 66758426, compound
Reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]2([OH:7])[CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH:13]=[C:14]3[c:15]4[c:16]([n:17][cH:18][cH:19][cH:20]4)[O:21][c:22]4[cH:23][cH:24][cH:25][c:26]([O:27][C:28]([C:29]([O:30][CH2:31][CH3:32])=[O:33])([CH3:34])[CH3:35])[c:36]4[CH2:37]3)[CH2:38][CH2:39]2)[cH:40][cH:41]1.[Cl:42][c:43]1[cH:44][cH:45][c:46]([C:49]2([OH:80])[CH2:50][CH2:51][N:52]([CH2:55][CH2:56][CH:57]=[C:58]3[CH2:59][c:60]4[c:61]([cH:69][cH:70][cH:71][c:72]4-[c:73]4[o:74][c:75]([CH:78]=[O:79])[cH:76][cH:77]4)[O:62][c:63]4[n:64][cH:65][cH:66][cH:67][c:68]43)[CH2:53][CH2:54]2)[cH:47][cH:48]1>>[OH:21][c:75]1[o:74][c:73](-[c:72]2[c:60]3[c:61]([cH:69][cH:70][cH:71]2)[O:62][c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[C:58](=[CH:57][CH2:56][CH2:55][N:52]2[CH2:51][CH2:50][C:49]([c:46]4[cH:45][cH:44][c:43]([Cl:42])[cH:48][cH:47]4)([OH:80])[CH2:54][CH2:53]2)[CH2:59]3)[cH:77][cH:76]1Participants
3
Sources & evidence
- ORD record
- ord-a41492f10ba047e18a1a915471deb437
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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