Acetic Acid → HCID 178432627, compound

HRID 201716Notes

Reaction equation

HRID 201716 reaction equation
[C:54]([OH:55])(=[O:56])[CH3:57].[Cl-:59].[Cl-:61].[Cl-:62].[Cl:23][c:24]1[cH:25][c:26]([CH:30]([CH2:31][NH:32][c:33]2[c:34](-[c:40]3[nH:41][c:42](-[c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:43]([CH2:45][CH3:46])[n:44]3)[c:35](=[O:39])[nH:36][cH:37][cH:38]2)[OH:53])[cH:27][cH:28][cH:29]1.[ClH:58].[I:1][c:2]1[cH:3][cH:4][n:5][c:6]([O:7][CH3:8])[c:9]1-[c:10]1[n:11]([OH:12])[c:13](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]([CH3:21])[n:22]1.[Ti+3:60]>>[Cl:23][c:24]1[cH:25][c:26]([CH:30]([CH2:31][NH:32][c:33]2[c:34](-[c:40]3[nH:41][c:42](-[c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:43]([CH3:45])[n:44]3)[c:35](=[O:39])[nH:36][cH:37][cH:38]2)[OH:53])[cH:27][cH:28][cH:29]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 312Chloride3×HCID 313Hydrochloric AcidHCID 5153393TiIIIHCID 598575802-(4-Iodo-2-methoxy-pyridin-3-yl)-4-methyl-5-phenyl-imidazol-1-olHCID 178437584HCID 178437584, compound

Product 1

HCID 178432627HCID 178432627, compound

Sources & evidence

ORD record
ord-ea96ccf1133c4858aefd8c8a7fa0fcfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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