Water → HCID 178522132, compound
Reaction equation
[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[O:38]=[C:39]1[NH:40][C:41](=[O:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]21.[O:68]=[C:69]([O:70][CH:71]([CH3:72])[CH3:73])[N:74]=[N:75][C:76]([O:77][CH:78]([CH3:79])[CH3:80])=[O:81].[OH2:87].[OH:1][CH:2]1[CH2:3][CH:4]2[N:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[N:12]([C:14]([c:15]3[cH:16][cH:17][c:18]([NH:21][C:22]([c:23]4[c:24](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[cH:25][cH:26][cH:27][cH:28]4)=[O:35])[cH:19][cH:20]3)=[O:36])[CH2:13]2)[CH2:37]1.[c:49]1([P:50]([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)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[CH:2]1([N:40]2[C:39](=[O:38])[c:48]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[C:41]2=[O:42])[CH2:3][CH:4]2[N:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[N:12]([C:14]([c:15]3[cH:16][cH:17][c:18]([NH:21][C:22]([c:23]4[c:24](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[cH:25][cH:26][cH:27][cH:28]4)=[O:35])[cH:19][cH:20]3)=[O:36])[CH2:13]2)[CH2:37]1Participants
7
Sources & evidence
- ORD record
- ord-42cef1d123c44beba7673ba62f626b87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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