Water → HCID 58707256, compound
Reaction equation
[CH2:53]1[CH2:54][NH:55][CH2:56][CH2:57][NH:58]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][C:65]#[N:66].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[F:11][c:12]1[cH:13][c:14]([F:15])[cH:16][cH:17][c:18]1[S:19]([CH3:20])(=[O:21])=[O:22].[F:32][c:33]1[cH:34][cH:35][c:36]([S:49](=[O:50])(=[O:51])[CH3:52])[c:37]([NH:39][c:40]2[c:41]3[c:42]([s:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48]3)[cH:38]1.[OH2:67].[s:1]1[cH:2][c:3]([NH2:4])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:33]1([N:55]2[CH2:54][CH2:53][NH:58][CH2:57][CH2:56]2)[cH:34][cH:35][c:36]([S:49](=[O:50])(=[O:51])[CH3:52])[c:37]([NH:39][c:40]2[c:41]3[c:42]([s:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48]3)[cH:38]1Participants
9
Sources & evidence
- ORD record
- ord-e2b501d914754b499a83df27d5176758
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…