Hydrochloric Acid → HCID 178441684, compound

HRID 1133135Notes

Reaction equation

HRID 1133135 reaction equation
[CH3:54][OH:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[ClH:50].[Na+:52].[OH-:51].[OH2:53].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:20]2[n:21][n:22][n:23][c:24]2-[c:25]2[c:26](-[c:31]3[cH:32][cH:33][c:34]([CH2:37][n:38]4[c:39]([CH2:46][CH2:47][CH2:48][CH3:49])[n:40][c:41]([Cl:45])[c:42]4[CH2:43][OH:44])[cH:35][cH:36]3)[cH:27][cH:28][cH:29][cH:30]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[n:20]1[n:21][n:22][nH:23][c:24]1-[c:25]1[c:26](-[c:31]2[cH:32][cH:33][c:34]([CH2:37][n:38]3[c:39]([CH2:46][CH2:47][CH2:48][CH3:49])[n:40][c:41]([Cl:45])[c:42]3[CH2:43][OH:44])[cH:35][cH:36]2)[cH:27][cH:28][cH:29][cH:30]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 11643218(2-Butyl-4-chloro-1-((2'-(1-trityl-1H-tetraazol-5-YL)(1,1'-biphenyl)-4-YL)methyl)-1H-imidazol-5-YL)methanol

Product 1

HCID 178441684HCID 178441684, compound

Sources & evidence

ORD record
ord-8f7764dba50f438c98558093eb6af641
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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