Pyridine → 1-[4-(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-6-methyl-pyridin-2-yl]-3-(2-fluoro-phenyl)-urea

HRID 2158000Notes

Reaction equation

HRID 2158000 reaction equation
[F:1][c:2]1[c:3]([N:8]=[C:9]=[O:10])[cH:4][cH:5][cH:6][cH:7]1.[NH2:11][c:12]1[c:13]2[c:14]([n:15][cH:16][n:17]1)[n:18]([CH:31]([CH3:32])[CH3:33])[cH:19][c:20]2[C:21](=[O:22])[c:23]1[cH:24][c:25]([NH2:30])[n:26][c:27]([CH3:29])[cH:28]1.[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[F:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[NH:30][c:25]2[cH:24][c:23]([C:21]([c:20]3[c:13]4[c:12]([NH2:11])[n:17][cH:16][n:15][c:14]4[n:18]([CH:31]([CH3:32])[CH3:33])[cH:19]3)=[O:22])[cH:28][c:27]([CH3:29])[n:26]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1049PyridineHCID 855882-Fluorophenyl isocyanateHCID 68902711(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-6-methyl-pyridin-4-yl)-methanone

Product 1

HCID 689034621-[4-(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-6-methyl-pyridin-2-yl]-3-(2-fluoro-phenyl)-urea

Sources & evidence

ORD record
ord-3826573531ad4d2b844481edd3a5a2db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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