Pyridine → 4-(4-Amino-5-{3-[3-(3,5-dichloro-phenyl)-ureido]-benzoyl}-pyrrolo[2,3-d]pyrimidin-7-yl)-piperidine-1-carboxylic acid tert-butyl ester

HRID 87011

Reaction equation

HRID 87011 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([n:25]2[cH:26][c:27]([C:35]([c:36]3[cH:37][c:38]([NH2:42])[cH:39][cH:40][cH:41]3)=[O:43])[c:28]3[c:29]2[n:30][cH:31][n:32][c:33]3[NH2:34])[CH2:23][CH2:24]1.[Cl:1][c:2]1[cH:3][c:4]([N:9]=[C:10]=[O:11])[cH:5][c:6]([Cl:8])[cH:7]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[NH:42][c:38]2[cH:37][c:36]([C:35]([c:27]3[cH:26][n:25]([CH:22]4[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]4)[c:29]4[c:28]3[c:33]([NH2:34])[n:32][cH:31][n:30]4)=[O:43])[cH:41][cH:40][cH:39]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

4

Reactant 3

HCID 1049PyridineHCID 944603,5-Dichlorophenyl isocyanateHCID 672197434-[4-Amino-5-(3-amino-benzoyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 672191604-(4-Amino-5-{3-[3-(3,5-dichloro-phenyl)-ureido]-benzoyl}-pyrrolo[2,3-d]pyrimidin-7-yl)-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-6bef472cf08c4664abc00a299e037965
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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