Methanol → HCID 178430551, compound

HRID 1147839Notes

Reaction equation

[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][c:13]2[n:14][cH:15][n:16]([S:18]([c:19]3[cH:20][cH:21][c:22]([CH3:23])[cH:24][cH:25]3)(=[O:26])=[O:27])[cH:17]2)[CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[C:35]([CH3:36])([CH3:37])[c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:55][OH:56].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][c:13]2[n:14][cH:15][nH:16][cH:17]2)[CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[C:35]([CH3:36])([CH3:37])[c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

Reactant 3

HCID 887Methanol

HCID 757711-Hydroxybenzotriazole

HCID 67272433(3,5-dimethyl-pyridin-2-ylmethyl)-{3-[1-(4-fluoro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-{2-[1-{toluene-4-sulfonyl)-1H-imidazol-4-yl]-ethyl}-amine

Product 1

HCID 178430551HCID 178430551, compound

Sources & evidence

ORD record: ord-7d0d1ff3919e4a9ab246afda9b4ad73c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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