Benzenepropanoic acid → HCID 21891079, compound
Reaction equation
[CH3:40][O:41][c:42]1[cH:43][c:44]2[c:45]([O:54][c:55]3[c:56]([F:62])[cH:57][c:58]([NH2:59])[cH:60][cH:61]3)[cH:46][cH:47][n:48][c:49]2[cH:50][c:51]1[O:52][CH3:53].[CH3:63][CH2:64][OH:65].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[OH:5][C:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)=[O:15].[S:1]([Cl:2])([Cl:3])=[O:4].[c:16]1([CH2:17][CH2:18][C:19]([Cl:20])=[O:21])[cH:22][cH:23][cH:24][cH:25][cH:26]1.[c:27]1([CH2:33][CH2:34][C:35](=[O:36])[N:37]=[C:38]=[S:39])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:27]1([CH2:33][CH2:34][C:35](=[O:36])[NH:37][C:38](=[S:39])[NH:59][c:58]2[cH:57][c:56]([F:62])[c:55]([O:54][c:45]3[c:44]4[cH:43][c:42]([O:41][CH3:40])[c:51]([O:52][CH3:53])[cH:50][c:49]4[n:48][cH:47][cH:46]3)[cH:61][cH:60]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1Participants
8
Sources & evidence
- ORD record
- ord-08c5db39b16f47cfa03cdf6704ac5e01
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
Loading…