Ethanol → ({7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholinomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl}oxy)acetic acid

HRID 2163001Notes

Reaction equation

HRID 2163001 reaction equation
[CH3:1][N:2]([c:3]1[cH:4][c:5]([O:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][N:18]4[CH2:19][CH2:20][S:21][CH2:22][CH2:23]4)[S:13]3)[nH:10][c:11]12)[S:31](=[O:32])(=[O:33])[c:34]1[n:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:47][CH2:48][OH:49].[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:40]>>[CH3:1][N:2]([c:3]1[cH:4][c:5]([O:24][CH2:25][C:26](=[O:27])[OH:28])[cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][N:18]4[CH2:19][CH2:20][S:21][CH2:22][CH2:23]4)[S:13]3)[nH:10][c:11]12)[S:31](=[O:32])(=[O:33])[c:34]1[n:35][cH:36][cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59136117ethyl({7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholinomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl}oxy)acetate

Product 1

HCID 59135788({7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholinomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl}oxy)acetic acid

Sources & evidence

ORD record
ord-c3c0c0cad32b4867ae38143506349e23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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