Chloride → HCID 178449468, compound
Reaction equation
[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][c:12]([CH2:13][CH:14]([CH:15]([CH2:16][CH:17]([CH3:18])[C:19]([NH:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[OH:26])[NH3+:27])[cH:28][cH:29][cH:30]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[Cl-:1].[Cl:66][CH2:67][Cl:68].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[cH:31]1[cH:32][cH:33][cH:34][c:35]2[c:41]1[CH:40]=[C:39]([C:42](=[O:43])[OH:44])[c:38]1[c:37]([cH:48][cH:47][cH:46][cH:45]1)[O:36]2>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][c:12]([CH2:13][CH:14]([CH:15]([CH2:16][CH:17]([CH3:18])[C:19]([NH:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[OH:26])[NH:27][C:42]([C:39]2=[CH:40][c:41]3[cH:31][cH:32][cH:33][cH:34][c:35]3[O:36][c:37]3[c:38]2[cH:45][cH:46][cH:47][cH:48]3)=[O:43])[cH:28][cH:29][cH:30]1Participants
8
Sources & evidence
- ORD record
- ord-02bf9cea17e543e3acbcdde024a852dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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