Toluene → N-(4-methyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)phenyl)-N'-phenylurea

HRID 301571Notes

Reaction equation

HRID 301571 reaction equation
[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2-[c:16]2[n:17][cH:18][n:19][cH:20][cH:21]2)[cH:4][c:5]([NH2:8])[cH:6][cH:7]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[O:22]=[C:23]=[N:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2-[c:16]2[n:17][cH:18][n:19][cH:20][cH:21]2)[cH:4][c:5]([NH:8][C:23](=[O:22])[NH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 7672Phenyl isocyanateHCID 583962724-methyl-N3-(3-pyrimidin-4-yl-pyridin-2-yl)-benzene-1,3-diamine

Product 1

HCID 58588332N-(4-methyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)phenyl)-N'-phenylurea

Sources & evidence

ORD record
ord-083ed9ec2c324ec99fdbebede7251877
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…