Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[NH:9][CH2:10][CH2:11][CH2:12]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:13][C:14]([Cl:15])=[O:16].[Cl:57][CH2:58][Cl:59].[O:17]1[CH:18]([O:23][NH:24][C:25](=[O:26])[CH:27]([CH2:28][CH:29]=[CH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH:37]([C:38](=[O:39])[NH:40][NH:41][CH2:42][CH:43]([CH3:44])[CH3:45])[CH2:46][CH:47]([CH3:48])[CH3:49])[CH2:19][CH2:20][CH2:21][CH2:22]1.[c:60]1([CH3:61])[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[N:9]([C:14](=[O:16])[N:41]([NH:40][C:38]([CH:37]([CH:27]([C:25]([NH:24][O:23][CH:18]2[O:17][CH2:22][CH2:21][CH2:20][CH2:19]2)=[O:26])[CH2:28][CH:29]=[CH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:46][CH:47]([CH3:48])[CH3:49])=[O:39])[CH2:42][CH:43]([CH3:44])[CH3:45])[CH2:10][CH2:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-974beadaa9894a41bb7bafcf54bcc7fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Linked notes
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