Acetate → HCID 73855138, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[N:28][c:29]2[cH:30][c:31]([NH:38][C:39]([CH2:40][N:41]([CH3:42])[CH3:43])=[O:44])[cH:32][cH:33][c:34]2[NH:35][CH2:36][CH3:37])[S:10][C:11](=[C:14]2[S:15][c:16]3[c:17]([cH:20][c:21]([O:24][CH2:25][CH2:26][Cl:27])[cH:22][cH:23]3)[N:18]2[CH3:19])[C:12]1=[O:13].[CH2:54]([N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH3:46][C:47]([O-:48])=[O:49].[CH3:72][OH:73].[ClH:52].[I-:53].[Na+:45].[Na+:51].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH-:50].[OH2:71]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[N:28][c:29]2[cH:30][c:31]([NH:38][C:39]([CH2:40][N:41]([CH3:42])[CH3:43])=[O:44])[cH:32][cH:33][c:34]2[NH:35][CH2:36][CH3:37])[S:10][C:11](=[C:14]2[S:15][c:16]3[c:17]([cH:20][c:21]([O:24][CH2:25][CH2:26][OH:48])[cH:22][cH:23]3)[N:18]2[CH3:19])[C:12]1=[O:13]Participants
11
Sources & evidence
- ORD record
- ord-4facb74b2e6747fa995a8122612a5fa4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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