1,2-Dichloroethane → Methyl 4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylate

HRID 206458Notes

Reaction equation

HRID 206458 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[NH:31][c:32]1[cH:33][c:34]([C:38](=[O:39])[NH:40][c:41]2[n:42][c:43]([C:47](=[O:48])[OH:49])[n:44]([CH3:46])[cH:45]2)[n:35]([CH3:37])[cH:36]1.[CH2:50]([Cl:51])[CH2:52][Cl:53].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:1][n:2]1[c:3]([C:19](=[O:20])[O:21][CH3:22])[cH:4][c:5]([NH:7][C:8](=[O:9])[c:10]2[n:11]([CH3:18])[cH:12][c:13]([N+:15]([O-:16])=[O:17])[cH:14]2)[cH:6]1.[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:23]>>[CH3:1][n:2]1[c:3]([C:19](=[O:20])[O:21][CH3:22])[cH:4][c:5]([NH:7][C:8](=[O:9])[c:10]2[n:11]([CH3:18])[cH:12][c:13]([NH:15][C:47]([c:43]3[n:42][c:41]([NH:40][C:38]([c:34]4[cH:33][c:32]([NH:31][C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[cH:36][n:35]4[CH3:37])=[O:39])[cH:45][n:44]3[CH3:46])=[O:48])[cH:14]2)[cH:6]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 592893Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylateHCID 27611954-(4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxylic acid

Product 1

HCID 59440139Methyl 4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylate

Sources & evidence

ORD record
ord-1816d2cb47ff4c47a35c0a3216f7a43e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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