1,2-Dichloroethane → Methyl 3-[4-([(2-nitrophenyl)sulfonyl]{4-[[(4-phenyl-1,3-thiazol-2-yl)methyl](propyl)amino]benzyl}amino)phenyl]propanoate

HRID 142871Notes

Reaction equation

HRID 142871 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH:60]([CH2:61][CH3:62])=[O:63].[Cl:69][CH2:70][CH2:71][Cl:72].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([N:33]=[CH:34][c:35]3[s:36][cH:37][c:38](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[n:39]3)[cH:31][cH:32]2)[cH:6][cH:7][cH:8][cH:9]1.[Na+:59].[Na+:64].[OH:65][C:66](=[O:67])[O-:68]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([N:33]([CH2:34][c:35]3[s:36][cH:37][c:38](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[n:39]3)[CH2:60][CH2:61][CH3:62])[cH:31][cH:32]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 527PropanalHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 23157601methyl 3-{4-[[(2-nitrophenyl)sulfonyl](4-{[(1E)-(4-phenyl-1,3-thiazol-2-yl)methylene]amino}benzyl)amino]phenyl}propanoate

Product 1

HCID 23157528Methyl 3-[4-([(2-nitrophenyl)sulfonyl]{4-[[(4-phenyl-1,3-thiazol-2-yl)methyl](propyl)amino]benzyl}amino)phenyl]propanoate

Sources & evidence

ORD record
ord-cfcb3a026a88481ca95d323eb9573151
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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