Hydrochloric Acid → 2-amino-N-[1-(6-iodo-1H-benzimidazol-2-yl)-2-phenylethyl]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetamide

HRID 1133301Notes

Reaction equation

HRID 1133301 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([C:9]([NH:10][CH:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[n:20][c:21]2[c:22]([nH:23]1)[cH:24][cH:25][c:26]([I:28])[cH:27]2)=[O:29])[c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:34][cH:35]1)([CH3:5])([CH3:6])[CH3:44].[C:58](#[N:59])[CH3:60].[ClH:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[NH2:7][CH:8]([C:9]([NH:10][CH:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[n:20][c:21]2[c:22]([nH:23]1)[cH:24][cH:25][c:26]([I:28])[cH:27]2)=[O:29])[c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:34][cH:35]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 312751,4-Dioxane2×HCID 178450556HCID 178450556, compound

Product 1

HCID 1784505552-amino-N-[1-(6-iodo-1H-benzimidazol-2-yl)-2-phenylethyl]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetamide

Sources & evidence

ORD record
ord-232d5461599a48e8a53270cbf0672bd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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