Water → HCID 67483077, compound
Reaction equation
[CH2:43]([Cl:44])[Cl:45].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[NH2:28][c:29]1[n:30][cH:31][c:32]([C:35]#[N:36])[cH:33][cH:34]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:28][c:29]2[n:30][cH:31][c:32]([C:35]#[N:36])[cH:33][cH:34]2)[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]Participants
9
Sources & evidence
- ORD record
- ord-83aba7f1dd1d488495188b2a7a1b457e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…