Ethyl 2-((tert-butoxycarbonyl)amino)acetate → 4-Bromo-2-[(tert-butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-5-(4-fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrrole-3-carboxylic acid ethyl ester

HRID 189271

Reaction equation

HRID 189271 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:27][Br:28])[n:8](-[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:9](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:10]1[Br:11].[CH2:29]([CH3:30])[O:31][C:32]([CH2:33][NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:27][N:34]([CH2:33][C:32]([O:31][CH2:29][CH3:30])=[O:42])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:8](-[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:9](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:10]1[Br:11]

Participants

3

Reactant 2

HCID 357729Ethyl 2-((tert-butoxycarbonyl)amino)acetateHCID 684263014-Bromo-2-bromomethyl-5-(4-fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrrole-3-carboxylic acid ethyl ester

Product 1

HCID 684268754-Bromo-2-[(tert-butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-5-(4-fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrrole-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-ec90380b72414aaa97c56326c70046a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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