1,2-Dichloroethane → tert-butyl N-[[1-[[1-[[5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropanecarbonyl]amino]cyclopropanecarbonyl]amino]carbamate

HRID 2124694Notes

Reaction equation

HRID 2124694 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:34])[C:9](=[O:33])[N:10]([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][C:19]2([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2)[cH:14][n:15]3)[cH:35][cH:36]1.[C:58]([CH3:59])([CH3:60])([CH3:61])[O:62][C:63](=[O:64])[NH:65][NH:66][C:67](=[O:68])[C:69]1([NH2:72])[CH2:70][CH2:71]1.[CH2:47]([Cl:48])[CH2:49][Cl:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:78][N:79]([c:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1)[CH3:86].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:87].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:34])[C:9](=[O:33])[N:10]([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][C:19]2([C:22](=[O:24])[NH:72][C:69]4([C:67]([NH:66][NH:65][C:63]([O:62][C:58]([CH3:59])([CH3:60])[CH3:61])=[O:64])=[O:68])[CH2:70][CH2:71]4)[CH2:20][CH2:21]2)[cH:14][n:15]3)[cH:35][cH:36]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 181649HOAtHCID 673892301-[[5-[(4-Cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylic acidHCID 67390113N'-(1-amino-cyclopropanecarbonyl)-hydrazinecarboxylic acid tert-butyl ester

Product 1

HCID 67390184tert-butyl N-[[1-[[1-[[5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropanecarbonyl]amino]cyclopropanecarbonyl]amino]carbamate

Sources & evidence

ORD record
ord-0451c1c1bc1b4dbb889d46b7ca23823e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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