Hydrochloric Acid → Hydrochloric Acid

HRID 1550853Notes

Reaction equation

HRID 1550853 reaction equation
[CH3:30][O:31][CH2:32][CH2:33][OH:34].[CH3:36][O:37][CH2:38][CH2:39][O:40][C:41](=[O:42])[C:43]1([C:66](=[O:67])[O:68][CH2:69][CH2:70][O:71][CH3:72])[O:44][c:45]2[c:46]([cH:48][cH:49][c:50]([CH2:52][CH:53]([CH3:54])[NH:55][CH2:56][CH:57]([OH:58])[c:59]3[cH:60][c:61]([Cl:65])[cH:62][cH:63][cH:64]3)[cH:51]2)[O:47]1.[CH3:73][CH2:74][O:75][CH2:76][CH3:77].[Cl:1][c:2]1[cH:3][c:4]([CH:5]([OH:6])[CH2:7][NH:8][CH:9]([CH3:10])[CH2:11][c:12]2[cH:13][cH:14][c:15]3[c:25]([cH:26]2)[O:24][C:17]([C:18]([OH:19])=[O:20])([C:21]([OH:22])=[O:23])[O:16]3)[cH:27][cH:28][cH:29]1.[ClH:35]>>[CH3:36][O:37][CH2:38][CH2:39][O:40][C:41](=[O:42])[C:43]1([C:66](=[O:67])[O:68][CH2:69][CH2:70][O:71][CH3:72])[O:44][c:45]2[c:46]([cH:48][cH:49][c:50]([CH2:52][CH:53]([CH3:54])[NH:55][CH2:56][CH:57]([OH:58])[c:59]3[cH:60][c:61]([Cl:65])[cH:62][cH:63][cH:64]3)[cH:51]2)[O:47]1.[ClH:1]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 80192-MethoxyethanolHCID 42813555-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acidHCID 117312295-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-methoxy-ethyl) ester

Product 2

HCID 313Hydrochloric AcidHCID 117312295-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-methoxy-ethyl) ester

Sources & evidence

ORD record
ord-a155bfa604884f9fab652504ce7da817
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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