Acetate → Hydrochloric Acid

HRID 1235682Notes

Reaction equation

HRID 1235682 reaction equation
[CH3:61][C:62](=[O:63])[O-:64].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][O:11][C:12](=[O:13])[n:14]2[cH:15][c:16]([CH2:23][C:24]([CH3:25])([C:26]([NH:27][CH:28]([CH3:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:36])[NH:37][C:38](=[O:39])[O:40][CH2:41][c:42]3[o:43][c:44]4[c:45]([cH:46]3)[cH:47][cH:48][cH:49][cH:50]4)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)[cH:51][cH:52]1.[CH:65]([Cl:66])([Cl:67])[Cl:68].[ClH:53].[Na+:60].[OH:54][CH:55]1[CH2:56][NH:57][CH2:58][CH2:59]1>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][O:11][C:12](=[O:13])[n:14]2[cH:15][c:16]([CH2:23][C:24]([CH3:25])([C:26]([NH:27][CH:28]([CH3:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:36])[NH:37][C:38](=[O:39])[O:40][CH2:41][c:42]3[o:43][c:44]4[c:45]([cH:46]3)[cH:47][cH:48][cH:49][cH:50]4)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)[cH:51][cH:52]1)[N:57]1[CH2:56][CH:55]([OH:54])[CH2:59][CH2:58]1.[ClH:53]

Participants

8

Reactant 6

HCID 175AcetateHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6212ChloroformHCID 982104-HydroxypyrrolidineHCID 206699173-[2-(Benzofuran-2-ylmethoxycarbonylamino)-2-(1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-formylbenzoyloxymethyl ester

Product 2

HCID 313Hydrochloric AcidHCID 54198661[4-[(3-Hydroxypyrrolidin-1-yl)methyl]benzoyl]oxymethyl 3-[2-(1-benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]indole-1-carboxylate

Sources & evidence

ORD record
ord-c4fd851d94ea4a25960de6a0f0bea0a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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