Hydrochloric Acid → 5-[4-(3-Chloro-4-fluoro-phenylamino)-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-1H-pyrrole-2-carboxylic acid (2-morpholin-4-YL-ethyl)-amide

HRID 134675Notes

Reaction equation

HRID 134675 reaction equation
[Cl:29][c:30]1[cH:31][c:32]([NH2:37])[cH:33][cH:34][c:35]1[F:36].[ClH:38].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][NH:9][C:10](=[O:11])[c:12]2[nH:13][c:14]([CH:17]=[C:18]3[C:19](=[O:28])[NH:20][c:21]4[n:22][cH:23][n:24][c:25]([Cl:27])[c:26]43)[cH:15][cH:16]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][NH:9][C:10](=[O:11])[c:12]2[nH:13][c:14]([CH:17]=[C:18]3[C:19](=[O:28])[NH:20][c:21]4[n:22][cH:23][n:24][c:25]([NH:37][c:32]5[cH:31][c:30]([Cl:29])[c:35]([F:36])[cH:34][cH:33]5)[c:26]43)[cH:15][cH:16]2)[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 97083-Chloro-4-fluoroanilineHCID 865865025-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-1H-pyrrole-2-carboxylic acid (2-morpholin4-yl-ethyl)-amide

Product 1

HCID 498233365-[4-(3-Chloro-4-fluoro-phenylamino)-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-1H-pyrrole-2-carboxylic acid (2-morpholin-4-YL-ethyl)-amide

Sources & evidence

ORD record
ord-fe4078bd6b084fd7b576a172b6b31cf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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