Hydrochloric Acid → Hydrochloric Acid

HRID 200058

Reaction equation

HRID 200058 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:33][O:34][c:35]1[c:36]([N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:37][cH:38][cH:39][cH:40]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[ClH:32].[I-:48].[K+:47].[K+:53].[K+:54].[NH2:1][c:2]1[c:3]([O:27][CH2:28][CH2:29][CH2:30][Cl:31])[cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1>>[ClH:31].[NH2:1][c:2]1[c:3]([O:27][CH2:28][CH2:29][CH2:30][N:44]2[CH2:43][CH2:42][N:41]([c:36]3[c:35]([O:34][CH3:33])[cH:40][cH:39][cH:38][cH:37]3)[CH2:46][CH2:45]2)[cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 13461-(2-Methoxyphenyl)piperazineHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 21197988HCID 21197988, compound

Product 2

HCID 313Hydrochloric AcidHCID 21197993Ethyl 4-[3-[4-amino-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoyl]indol-1-yl]butanoate

Sources & evidence

ORD record
ord-2685b3f15f18476cad88b58f87fcd840
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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