Hydrochloric Acid → Methyl 2-[2-(3,4-dichloroanilino)propylamino]-4-phenylmethoxybutanoate

HRID 1556273Notes

Reaction equation

HRID 1556273 reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:32][O:33][C:34]([CH:35]([CH2:36][CH2:37][O:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[NH2:46])=[O:47].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH2:81][CH3:82].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:11][c:12]1[cH:13][c:14]([NH:19][CH:20]([CH2:21][OH:22])[CH3:23])[cH:15][cH:16][c:17]1[Cl:18].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:67][CH2:68][Cl:69].[ClH:31].[Na+:61].[Na+:66].[O-:62][C:63]([OH:64])=[O:65]>>[Cl:11][c:12]1[cH:13][c:14]([NH:19][CH:20]([CH2:21][NH:46][CH:35]([C:34]([O:33][CH3:32])=[O:47])[CH2:36][CH2:37][O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH3:23])[cH:15][cH:16][c:17]1[Cl:18]

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 65578Oxalyl chlorideHCID 2724942TriacetoxyborohydrideHCID 66782702Methyl 2-amino-4-(benzyloxy)butanoateHCID 667832572-(3,4-Dichloro-phenylamino)-propan-1-ol

Product 1

HCID 66783304Methyl 2-[2-(3,4-dichloroanilino)propylamino]-4-phenylmethoxybutanoate

Sources & evidence

ORD record
ord-da1f6696d14a4451aaab721a459fa1f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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