Toluene → HCID 56594745, compound

HRID 309293Notes

Reaction equation

HRID 309293 reaction equation
[CH3:14][NH:15][c:16]1[n:17][cH:18][n:19][c:20]([NH:22][c:23]2[cH:24][cH:25][c:26]([N:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:27][cH:28]2)[cH:21]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[c:3]([N:11]=[C:12]=[O:13])[c:4]([Cl:10])[cH:5][cH:6][c:7]1[O:8][CH3:9]>>[Cl:1][c:2]1[c:3]([NH:11][C:12](=[O:13])[N:15]([CH3:14])[c:16]2[n:17][cH:18][n:19][c:20]([NH:22][c:23]3[cH:24][cH:25][c:26]([N:29]4[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]4)[cH:27][cH:28]3)[cH:21]2)[c:4]([Cl:10])[cH:5][cH:6][c:7]1[O:8][CH3:9]

Participants

4

Reactant 3

HCID 1140TolueneHCID 66669969N-methyl-N'-[4-(4-methyl-piperazin-1-yl)-phenyl]-pyrimidine-4,6-diamineHCID 860869342,6-Dichloro-3-methoxyphenylisocyanate

Product 1

HCID 56594745HCID 56594745, compound

Sources & evidence

ORD record
ord-168ac88fa563496d8613cb2782cd0e71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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