Citric Acid → {4-[(2-{7-[(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetic acid
Reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[N:7]1[CH2:8][CH2:9][N:10]([CH2:13][c:14]2[cH:15][n:16][c:17](-[c:19]3[nH:20][c:21]4[c:22]([NH:28][S:29](=[O:30])(=[O:31])[c:32]5[s:33][cH:34][cH:35][cH:36]5)[cH:23][cH:24][cH:25][c:26]4[cH:27]3)[s:18]2)[CH2:11][CH2:12]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:65][OH:66].[Cl-:53].[Na+:38].[Na+:52].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH-:37].[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51]>>[CH2:3]([C:4](=[O:5])[OH:6])[N:7]1[CH2:8][CH2:9][N:10]([CH2:13][c:14]2[cH:15][n:16][c:17](-[c:19]3[nH:20][c:21]4[c:22]([NH:28][S:29](=[O:30])(=[O:31])[c:32]5[s:33][cH:34][cH:35][cH:36]5)[cH:23][cH:24][cH:25][c:26]4[cH:27]3)[s:18]2)[CH2:11][CH2:12]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c6b80100906d4744895606475ef448b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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