Diisopropylethylamine → methyl 4-(imino(3-(3-(4-(N-(4-sulfamoylphenyl)sulfamoyl)phenyl)ureido)phenyl)methyl)piperazine-1-carboxylate

HRID 123967Notes

Reaction equation

HRID 123967 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([NH:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]3[cH:23][cH:24][c:25]([S:28]([NH2:29])(=[O:30])=[O:31])[cH:26][cH:27]3)[cH:16][cH:17]2)=[O:32])[cH:6][cH:7][cH:8]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[N:33]1([C:39](=[O:40])[O:41][CH3:42])[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1>>[C:1](=[NH:2])([c:3]1[cH:4][c:5]([NH:9][C:10]([NH:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]3[cH:23][cH:24][c:25]([S:28]([NH2:29])(=[O:30])=[O:31])[cH:26][cH:27]3)[cH:16][cH:17]2)=[O:32])[cH:6][cH:7][cH:8]1)[N:36]1[CH2:35][CH2:34][N:33]([C:39](=[O:40])[O:41][CH3:42])[CH2:38][CH2:37]1

Participants

4

Reactant 3

HCID 81531DiisopropylethylamineHCID 142729Methyl piperazine-1-carboxylateHCID 574961784-(3-(3-cyanophenyl)ureido)-N-(4-sulfamoylphenyl)benzenesulfonamide

Product 1

HCID 57496140methyl 4-(imino(3-(3-(4-(N-(4-sulfamoylphenyl)sulfamoyl)phenyl)ureido)phenyl)methyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-fc48eebdb7cc4009ad05f9d9b7d73d41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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