Acetic Acid → 1-Methyl-1H-imidazole-4-sulfonic acid {2-[8-(3,4-dichloro-benzyl)-7-ethylamino-5,6,7,8-tetrahydro-naphthalen-2-yloxy]-ethyl}-amide

HRID 1224270Notes

Reaction equation

HRID 1224270 reaction equation
[C:46]([BH3-:47])#[N:48].[CH3:42][C:43](=[O:44])[OH:45].[CH3:54][OH:55].[CH:39](=[O:40])[CH3:41].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]2[CH:7]([NH:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:8][CH2:9][c:10]3[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][NH:19][S:20](=[O:21])(=[O:22])[c:23]4[n:24][cH:25][n:26]([CH3:28])[cH:27]4)[cH:14][c:15]32)[cH:35][cH:36][c:37]1[Cl:38].[Cl:50][CH2:51][Cl:52].[Na+:49].[OH2:53]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]2[CH:7]([NH:29][CH2:30][CH3:39])[CH2:8][CH2:9][c:10]3[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][NH:19][S:20](=[O:21])(=[O:22])[c:23]4[n:24][cH:25][n:26]([CH3:28])[cH:27]4)[cH:14][c:15]32)[cH:35][cH:36][c:37]1[Cl:38]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 46870449Ethyl 1-(3,4-dichlorobenzyl)-7-(2-(1-methyl-1H-imidazole-4-sulfonamido)ethoxy)-1,2,3,4-tetrahydronaphthalen-2-ylcarbamate

Product 1

HCID 574870781-Methyl-1H-imidazole-4-sulfonic acid {2-[8-(3,4-dichloro-benzyl)-7-ethylamino-5,6,7,8-tetrahydro-naphthalen-2-yloxy]-ethyl}-amide

Sources & evidence

ORD record
ord-0fb3930240d740389490f4a0277f92aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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