Water → HCID 178464887, compound
Reaction equation
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][N:28]([c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][c:36]([C:38](=[O:39])[NH:40][CH:41]([CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:37]1)[S:49](=[O:50])(=[O:51])[CH3:52].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[NH2:1][CH:2]([CH:3]([C:4](=[O:5])[NH:6][c:7]1[nH:8][cH:9][cH:10][n:11]1)[OH:12])[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[OH2:63].[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1>>[NH:1]([CH:2]([CH:3]([C:4](=[O:5])[NH:6][c:7]1[n:8][cH:9][cH:10][nH:11]1)[OH:12])[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:32]([c:31]1[cH:30][c:29]([N:28]([CH3:27])[S:49](=[O:50])(=[O:51])[CH3:52])[cH:37][c:36]([C:38](=[O:39])[NH:40][CH:41]([CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:35]1)=[O:33]Participants
7
Sources & evidence
- ORD record
- ord-6ea8ceb9ff3e48f9bfa2efcd5d31e382
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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