Water → HCID 178449426, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:34](=[O:35])[OH:36])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][n:23][n:24](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:25]2[CH2:26][OH:27])[CH2:13]1.[CH2:37]1[CH2:38][O:39][CH2:40][CH2:41][NH:42]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][C:61]#[N:62].[OH2:63].[n:43]1([OH:44])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:34](=[O:36])[N:42]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][n:23][n:24](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:25]2[CH2:26][OH:27])[CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-88b5d6f6c9ad4380b47221734622b219
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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