Acetate → HCID 73855075, 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].[CH2:55]([N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH3:71].[CH3:46][C:47]([O-:48])=[O:49].[CH3:50][C:51](=[O:52])[CH3:53].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[I-:54].[Na+:45]>>[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][O:49][C:47]([CH3:46])=[O:48])[cH:22][cH:23]3)[N:18]2[CH3:19])[C:12]1=[O:13]Participants
8
Sources & evidence
- ORD record
- ord-0070cd2bad8a43ee92ce15684b907afa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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