Imidazole → Dechloroclotrimazole

HRID 1540877Notes

Reaction equation

HRID 1540877 reaction equation
[P:1]([O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([O:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:28]1([C:34]([OH:35])([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[nH:23]1[cH:24][n:25][cH:26][cH:27]1>>[n:23]1([C:34]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:24][n:25][cH:26][cH:27]1

Participants

5

Reactant 4

HCID 795ImidazoleHCID 1049PyridineHCID 6457TriphenylcarbinolHCID 7540Triphenyl phosphite

Product 1

HCID 618231Dechloroclotrimazole

Sources & evidence

ORD record
ord-93217c31321e4d9ebd6ee66493cb0242
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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