N-Methyltaurine → 2-[(4-{4-[2-(3-Cyano-1H-indol-5-yl)-ethylcarbamoyl]-phenyl}-pyrimidin-2-yl)-methyl-amino]-ethanesulfonic acid
Reaction equation
[C:9](#[N:10])[c:11]1[cH:12][nH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23]([c:24]3[cH:25][cH:26][c:27](-[c:30]4[n:31][c:32]([Cl:36])[n:33][cH:34][cH:35]4)[cH:28][cH:29]3)=[O:37])[cH:18][c:19]12.[CH3:1][NH:2][CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[OH:8]>>[CH3:1][N:2]([CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[OH:8])[c:32]1[n:31][c:30](-[c:27]2[cH:26][cH:25][c:24]([C:23]([NH:22][CH2:21][CH2:20][c:17]3[cH:16][cH:15][c:14]4[nH:13][cH:12][c:11]([C:9]#[N:10])[c:19]4[cH:18]3)=[O:37])[cH:29][cH:28]2)[cH:35][cH:34][n:33]1Participants
3
Sources & evidence
- ORD record
- ord-69f3187f4bbf490f9a8ac924272595a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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