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Hydroxide → methyl 3-[4-({4-[(2-phenyl-1H-indol-1-yl)methyl]benzyl}amino)phenyl]propanoate

HRID 662881
Notes
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Reaction equation

HRID 662881 reaction equation
[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Li+:56].[N+:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[N:13]([c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]1)[CH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][n:34]2[c:35](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]23)[cH:31][cH:32]1)([O-:11])=[O:12].[OH-:55].[OH2:54].[SH:49][CH2:50][C:51]([OH:52])=[O:53]>>[NH:13]([c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]1)[CH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][n:34]2[c:35](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]23)[cH:31][cH:32]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 961HydroxideHCID 962WaterHCID 1133Thioglycolic AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 23157671methyl 3-[4-([(2-nitrophenyl)sulfonyl]{4-[(2-phenyl-1H-indol-1-yl)methyl]benzyl}amino)phenyl]propanoate

Product 1

HCID 23157646methyl 3-[4-({4-[(2-phenyl-1H-indol-1-yl)methyl]benzyl}amino)phenyl]propanoate

Sources & evidence

ORD record
ord-4ac1965f2cd149a683dc60d836ff0802
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes