HCID 67264161, compound → 3-[[5-chloro-2-[[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

HRID 167083Notes

Reaction equation

HRID 167083 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH:8]2[CH2:9][CH2:10][N:11]([CH:14]3[CH2:15][CH2:16][c:17]4[c:18]([cH:21][c:22]([NH2:25])[cH:23][cH:24]4)[CH2:19][CH2:20]3)[CH2:12][CH2:13]2)[CH2:6][CH2:7]1.[Cl:26][c:27]1[n:28][cH:29][c:30]([Cl:44])[c:31]([NH:33][CH:34]2[CH:35]([C:41](=[O:42])[NH2:43])[CH:36]3[CH:37]=[CH:38][CH:39]2[CH2:40]3)[n:32]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH:8]2[CH2:9][CH2:10][N:11]([CH:14]3[CH2:15][CH2:16][c:17]4[c:18]([cH:21][c:22]([NH:25][c:27]5[n:28][cH:29][c:30]([Cl:44])[c:31]([NH:33][CH:34]6[CH:35]([C:41](=[O:42])[NH2:43])[CH:36]7[CH:37]=[CH:38][CH:39]6[CH2:40]7)[n:32]5)[cH:23][cH:24]4)[CH2:19][CH2:20]3)[CH2:12][CH2:13]2)[CH2:6][CH2:7]1

Participants

3

Reactant 2

HCID 67264161HCID 67264161, compoundHCID 764469493-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

Product 1

HCID 1784807663-[[5-chloro-2-[[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Sources & evidence

ORD record
ord-35cabad929af4949a46aa5a7f625dbaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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