1,2-Dichloroethane → Ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[5-[2-oxo-2-(2-phenylmethoxycarbonylpyrrolidin-1-yl)ethoxy]-1-phenylpyrazole-3-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[OH:35])[cH:30]2)=[O:42])[CH2:10][CH2:11]1.[CH2:63]([c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[O:70][C:71]([CH:72]1[NH:73][CH2:74][CH2:75][CH2:76]1)=[O:77].[CH2:83]([Cl:84])[CH2:85][Cl:86].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[ClH:62].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:29]([O:31][CH2:32][C:33](=[O:35])[N:73]3[CH:72]([C:71]([O:70][CH2:63][c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)=[O:77])[CH2:76][CH2:75][CH2:74]3)[cH:30]2)=[O:42])[CH2:10][CH2:11]1Participants
8
Reactant 7
HCID 111,2-Dichloroethane
HCID 313Hydrochloric Acid
HCID 6228Dimethylformamide
HCID 757711-Hydroxybenzotriazole
HCID 81531Diisopropylethylamine
HCID 99767Proline benzyl ester
HCID 668560712-[3-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxyacetic acidProduct 1
Sources & evidence
- ORD record
- ord-5450a649562a47b6ba8ea101db7d6d2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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