Hydrochloric Acid → 2-[[6-(2-Carboxy-4-chloroanilino)-6-oxohexanoyl]amino]-4-phenylthiophene-3-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH:19][C:20]([CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[NH:27][c:28]2[c:29]([C:30](=[O:31])[O-:32])[cH:33][c:34]([Cl:37])[cH:35][cH:36]2)=[O:38])[s:10][cH:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[C:41]([O:42][C:43]([c:44]1[c:45](-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][s:53][c:54]1[NH:55][C:56](=[O:57])[CH2:58][CH2:59][CH2:60][CH2:61][C:62]([NH:63][c:64]1[cH:65][cH:66][c:67]([Cl:68])[cH:69][c:70]1[C:71]([OH:72])=[O:73])=[O:74])=[O:75])([CH3:76])([CH3:77])[CH3:78].[CH2:86]([Cl:87])[Cl:88].[ClH:40].[F:79][C:80]([F:81])([F:82])[C:83]([OH:84])=[O:85].[Na+:39]>>[O:5]=[C:6]([OH:7])[c:8]1[c:9]([NH:19][C:20]([CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[NH:27][c:28]2[c:29]([C:30](=[O:31])[OH:32])[cH:33][c:34]([Cl:37])[cH:35][cH:36]2)=[O:38])[s:10][cH:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1Participants
7
Sources & evidence
- ORD record
- ord-19cddd9211db40d58d69132c80dec395
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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