3-amino-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester → 3-[5-Chloro-4-(2-methylcarbamoyl-thiophen-3-ylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester

HRID 122292Notes

Reaction equation

HRID 122292 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([NH2:17])[cH:16]2.[CH3:18][NH:19][C:20](=[O:21])[c:22]1[s:23][cH:24][cH:25][c:26]1[NH:27][c:28]1[n:29][c:30]([Cl:35])[n:31][cH:32][c:33]1[Cl:34]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([NH:17][c:30]1[n:29][c:28]([NH:27][c:26]3[c:22]([C:20]([NH:19][CH3:18])=[O:21])[s:23][cH:24][cH:25]3)[c:33]([Cl:34])[cH:32][n:31]1)[cH:16]2

Participants

3

Reactant 2

HCID 672645533-amino-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl esterHCID 866340043-(2,5-Dichloro-pyrimidin-4-ylamino)-thiophene-2-carboxylic acid methylamide

Product 1

HCID 668295073-[5-Chloro-4-(2-methylcarbamoyl-thiophen-3-ylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-6a878520d0b443efaef8de108e6ba018
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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