Tetrahydrofuran → HCID 178422743, compound

HRID 1128052Notes

Reaction equation

HRID 1128052 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH:31]1([c:34]2[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]2)[CH2:32][CH2:33]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[S:27]([Cl:28])([Cl:29])=[O:30]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:38][c:37]2[cH:36][cH:35][c:34]([CH:31]4[CH2:32][CH2:33]4)[cH:40][cH:39]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 122539274-CyclopropylanilineHCID 178422815HCID 178422815, compound

Product 1

HCID 178422743HCID 178422743, compound

Sources & evidence

ORD record
ord-4ad215cd89a84049aaa38d4aa8135465
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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