Hydrochloric Acid → [[1-amino-2-[3-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]ethylidene]amino] ethyl carbonate

HRID 135559Notes

Reaction equation

HRID 135559 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:1][C:2](=[O:3])[O:4][CH2:5][CH3:6].[ClH:40].[NH2:7][C:8]([CH2:9][N:10]1[C:11](=[O:32])[CH:12]([NH:20][C:21](=[O:22])[c:23]2[cH:24][c:25]3[c:26]([nH:27]2)[s:28][c:29]([Cl:31])[cH:30]3)[CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21)=[N:33][OH:34].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[C:2](=[O:3])([O:4][CH2:5][CH3:6])[O:34][N:33]=[C:8]([NH2:7])[CH2:9][N:10]1[C:11](=[O:32])[CH:12]([NH:20][C:21](=[O:22])[c:23]2[cH:24][c:25]3[c:26]([nH:27]2)[s:28][c:29]([Cl:31])[cH:30]3)[CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 85095890N-[1-(2-amino-2-hydroxyiminoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxamide

Product 1

HCID 73852915[[1-amino-2-[3-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]ethylidene]amino] ethyl carbonate

Sources & evidence

ORD record
ord-3010a046a77a4a5a81afa6343984becb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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