Imidazole → Clotrimazole

HRID 2343177Notes

Reaction equation

HRID 2343177 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:22][c:23]1[c:24]([C:29]([OH:30])([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:25][cH:26][cH:27][cH:28]1.[P:1]([O-:2])([O:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[nH:17]1[cH:18][n:19][cH:20][cH:21]1>>[n:17]1([C:29]([c:24]2[c:23]([Cl:22])[cH:28][cH:27][cH:26][cH:25]2)([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:18][n:19][cH:20][cH:21]1

Participants

5

Reactant 4

HCID 795ImidazoleHCID 1140TolueneHCID 298659(2-Chlorophenyl)diphenylmethanolHCID 23418553Diphenoxyphosphanolate

Product 1

HCID 2812Clotrimazole

Sources & evidence

ORD record
ord-fc1bfe6337a640ae90ab8790f9c143cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…