Chloride → 5-[4'-(5-Azidomethyl-2-butyl-4-chloro-imidazol-1-ylmethyl)-biphenyl-2-yl]-1-trityl-1H-tetrazole

HRID 168671Notes

Reaction equation

HRID 168671 reaction equation
[CH2:5]([CH2:6][CH2:7][CH3:8])[c:9]1[n:10][c:11]([Cl:57])[c:12]([CH2:51][O:52][S:53]([CH3:54])(=[O:55])=[O:56])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22](-[c:27]3[n:28][n:29][n:30][n:31]3[C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1.[CH3:1][S:2](=[O:3])[CH3:4].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl-:62].[N-:59]=[N+:60]=[N-:61].[Na+:58].[Na+:63]>>[CH2:5]([CH2:6][CH2:7][CH3:8])[c:9]1[n:10][c:11]([Cl:57])[c:12]([CH2:51][N:59]=[N+:60]=[N-:61])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22](-[c:27]3[n:28][n:29][n:30][n:31]3[C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 33558AzideHCID 86624363Methanesulfonic acid 2-butyl-5-chloro-3-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl ester

Product 1

HCID 866262645-[4'-(5-Azidomethyl-2-butyl-4-chloro-imidazol-1-ylmethyl)-biphenyl-2-yl]-1-trityl-1H-tetrazole

Sources & evidence

ORD record
ord-c2630827c2f6424e805e2e4568d9582b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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