Water → HCID 56657856, compound
Reaction equation
[CH2:39]1[CH2:40][CH2:41][C:42]2=[N:47][CH2:46][CH2:45][CH2:44][N:43]2[CH2:48][CH2:49]1.[Cl:1][CH2:2][CH2:3][n:4]1[n:5][c:6]([C:36](=[O:37])[NH2:38])[c:7]2[c:16]1-[c:15]1[c:10]([cH:11][n:12][c:13]([NH:17][c:18]3[c:19]([O:31][C:32]([F:33])([F:34])[F:35])[cH:20][cH:21][c:22]([N:24]4[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]4)[cH:23]3)[n:14]1)[CH2:9][CH2:8]2.[OH2:50]>>[CH2:2]=[CH:3][n:4]1[n:5][c:6]([C:36](=[O:37])[NH2:38])[c:7]2[c:16]1-[c:15]1[c:10]([cH:11][n:12][c:13]([NH:17][c:18]3[c:19]([O:31][C:32]([F:33])([F:34])[F:35])[cH:20][cH:21][c:22]([N:24]4[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]4)[cH:23]3)[n:14]1)[CH2:9][CH2:8]2Participants
4
Sources & evidence
- ORD record
- ord-4eefa16e5401490b807749aa1cd034f9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…