Dichloromethane → N-(4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl)-N'-benzylurea

HRID 189925Notes

Reaction equation

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]=[C:9]=[O:10].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[NH2:11][c:12]1[c:13]([O:33][CH3:34])[cH:14][c:15](-[c:18]2[cH:19][n:20]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[c:21]3[n:22][cH:23][n:24][c:25]([NH2:27])[c:26]23)[cH:16][cH:17]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[NH:11][c:12]1[c:13]([O:33][CH3:34])[cH:14][c:15](-[c:18]2[cH:19][n:20]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[c:21]3[n:22][cH:23][n:24][c:25]([NH2:27])[c:26]23)[cH:16][cH:17]1

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 76639Benzyl isocyanate

HCID 81531Diisopropylethylamine

HCID 539252325-(4-amino-3-methoxyphenyl)-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Product 1

HCID 54264130N-(4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl)-N'-benzylurea

Sources & evidence

ORD record: ord-02cb25e266c043e2aa313b290c1755fc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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