Hydrochloric Acid → 3-(3-{[(Pyridine-3-sulfonyl)-(4-pyrimidin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester

HRID 122665

Reaction equation

HRID 122665 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH2:12][NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[n:22][cH:23][cH:24][cH:25][n:26]3)[cH:19][cH:20]2)[cH:9][cH:10][cH:11]1)=[O:27].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[ClH:28].[n:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[Cl:38])[cH:32][cH:33][cH:34]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH2:12][N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[n:22][cH:23][cH:24][cH:25][n:26]3)[cH:19][cH:20]2)[S:35]([c:31]2[cH:30][n:29][cH:34][cH:33][cH:32]2)(=[O:36])=[O:37])[cH:9][cH:10][cH:11]1)=[O:27]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 3164136Pyridine-3-sulfonyl chlorideHCID 536352203-{3-[(4-Pyrimidin-2-yl-benzylamino)-methyl]-phenyl}-propionic acid methyl ester

Product 1

HCID 539264943-(3-{[(Pyridine-3-sulfonyl)-(4-pyrimidin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester

Sources & evidence

ORD record
ord-8d060c66e51940f5a5f7fc42fd3f6533
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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