Water → HCID 73008253, compound
Reaction equation
[CH2:66]([Cl:67])[Cl:68].[CH3:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[NH:16][C:17](=[O:18])[CH:19]2[N:20]([S:25](=[O:26])(=[O:27])[c:28]3[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]3)[CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:9][cH:10]1.[NH2:48][CH:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:69].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][CH:12]([C:13](=[O:15])[NH:48][CH:49]2[CH2:50][CH2:51][O:52][CH2:53][CH2:54]2)[NH:16][C:17](=[O:18])[CH:19]2[N:20]([S:25](=[O:26])(=[O:27])[c:28]3[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]3)[CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-32e9e2f0b2324e749aa6d8559179172a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…