Ethanol → HCID 57967274, compound

HRID 1218903Notes

Reaction equation

HRID 1218903 reaction equation
[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][OH:53].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[N:11]=[C:12]=[S:13])[cH:6][cH:7]1.[O:14]1[CH:15]([c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][c:28]4[n:29][cH:30][cH:31][c:32]([O:35][c:36]5[c:37]([F:43])[cH:38][c:39]([NH2:40])[cH:41][cH:42]5)[c:33]4[s:34]3)[n:24][cH:25]2)[O:16][CH2:17][CH2:18][CH2:19]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][C:12](=[S:13])[NH:40][c:39]2[cH:38][c:37]([F:43])[c:36]([O:35][c:32]3[cH:31][cH:30][n:29][c:28]4[cH:27][c:26](-[c:23]5[cH:22][cH:21][c:20]([CH:15]6[O:14][CH2:19][CH2:18][CH2:17][O:16]6)[cH:25][n:24]5)[s:34][c:33]43)[cH:42][cH:41]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 1140TolueneHCID 231532482-(4-Fluorophenyl)acetyl isothiocyanateHCID 579672584-(2-(5-(1,3-Dioxan-2-yl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluoroaniline

Product 1

HCID 57967274HCID 57967274, compound

Sources & evidence

ORD record
ord-e95d3ef2bf0d46b9a51f5044e1775e5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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