Acetic Acid → HCID 5330103, compound
Reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH2:55]([Cl:56])[Cl:57].[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:7][c:8]1[c:9]([NH:10][c:11]2[c:12]([C:28]#[N:29])[cH:13][n:14][c:15]3[cH:16][c:17](-[c:21]4[s:22][c:23]([CH:26]=[O:27])[cH:24][cH:25]4)[cH:18][cH:19][c:20]23)[cH:30][c:31]([O:35][CH3:36])[c:32]([Cl:34])[cH:33]1.[Na+:50]>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH2:26][c:23]2[s:22][c:21](-[c:17]3[cH:16][c:15]4[n:14][cH:13][c:12]([C:28]#[N:29])[c:11]([NH:10][c:9]5[c:8]([Cl:7])[cH:33][c:32]([Cl:34])[c:31]([O:35][CH3:36])[cH:30]5)[c:20]4[cH:19][cH:18]3)[cH:25][cH:24]2)[CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-ed4c913830a643ac95a309948e581707
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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