Ethylene Glycol → 8-(2,6-Dichloro-3,5-dimethoxyphenyl)-3-[(4-ethyl-1-piperazinyl)methyl]-5-quinoxalinecarboxylic acid
Reaction equation
[Cl:36][c:37]1[c:38]([O:39][CH3:40])[cH:41][c:42]([O:43][CH3:44])[c:45]([Cl:46])[c:47]1-[c:48]1[c:49]2[n:50][c:51]([CH2:52][N:53]3[CH2:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH2:60]3)[cH:61][n:62][c:63]2[c:64]([C:65]#[N:66])[cH:67][cH:68]1.[Cl:3][c:4]1[c:5](-[c:15]2[cH:16][cH:17][c:18]([C:34]#[N:35])[c:19]3[n:20][c:21]([CH2:25][N:26]4[CH2:27][CH2:28][N:29]([CH2:32][CH3:33])[CH2:30][CH2:31]4)[cH:22][n:23][c:24]23)[c:6]([Cl:14])[c:7]([O:12][CH3:13])[cH:8][c:9]1[O:10][CH3:11].[K+:2].[OH-:1].[OH2:69].[OH:70][CH2:71][CH2:72][OH:73]>>[O:1]=[C:34]([c:18]1[cH:17][cH:16][c:15](-[c:5]2[c:4]([Cl:3])[c:9]([O:10][CH3:11])[cH:8][c:7]([O:12][CH3:13])[c:6]2[Cl:14])[c:24]2[c:19]1[n:20][c:21]([CH2:25][N:26]1[CH2:27][CH2:28][N:29]([CH2:32][CH3:33])[CH2:30][CH2:31]1)[cH:22][n:23]2)[OH:69]Participants
7
Sources & evidence
- ORD record
- ord-3cc67e972e744e099f2adc6fabd45aea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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