ethyl 2-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)-2-(4-ethylpiperazin-1-yl)acetate → Ethyl 2-(4-Ethylpiperazin-1-yl)-2-(4-(4-methyl-6-(2-methyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamido)phenyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)acetate

HRID 2314997Notes

Reaction equation

HRID 2314997 reaction equation
[Br:1][c:2]1[cH:3][n:4]([CH3:30])[c:5](=[O:29])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[N:21]3[CH2:22][CH2:23][N:24]([CH2:27][CH3:28])[CH2:25][CH2:26]3)[cH:13][cH:14]2)[n:7]1.[CH3:31][c:32]1[c:33]([NH:47][C:48](=[O:49])[c:50]2[cH:51][c:52]3[c:53]([s:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]3)[cH:34][cH:35][cH:36][c:37]1[CH:38]1[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]1>>[c:2]1(-[c:37]2[c:32]([CH3:31])[c:33]([NH:47][C:48](=[O:49])[c:50]3[cH:51][c:52]4[c:53]([s:54]3)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]4)[cH:34][cH:35][cH:36]2)[cH:3][n:4]([CH3:30])[c:5](=[O:29])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[N:21]3[CH2:22][CH2:23][N:24]([CH2:27][CH3:28])[CH2:25][CH2:26]3)[cH:13][cH:14]2)[n:7]1

Participants

3

Reactant 2

HCID 57625183ethyl 2-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)-2-(4-ethylpiperazin-1-yl)acetateHCID 66941145N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Product 1

HCID 57625121Ethyl 2-(4-Ethylpiperazin-1-yl)-2-(4-(4-methyl-6-(2-methyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamido)phenyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)acetate

Sources & evidence

ORD record
ord-ab46c3b2656a4289ad272186c1c227bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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