Water → HCID 178476132, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:42]([CH3:43])[CH3:44])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][NH2:41])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:52][C:53](=[O:54])[O:55][c:56]1[cH:57][cH:58][c:59]([N+:60]([O-:61])=[O:62])[cH:63][cH:64]1.[Cl:74][CH2:75][Cl:76].[NH2:65][CH2:66][CH2:67][N:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[OH2:77]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:42]([CH3:43])[CH3:44])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][NH:41][C:53](=[O:54])[NH:65][CH2:66][CH2:67][N:68]3[CH2:69][CH2:70][O:71][CH2:72][CH2:73]3)[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]Participants
7
Sources & evidence
- ORD record
- ord-a9a4787deef3464d9388f2f69e2e135c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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