Toluene → (3-Chloro-benzyl)-[6-(4-chloromethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine

HRID 676409Notes

Reaction equation

HRID 676409 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:5][c:6]1[cH:7][c:8]([CH2:9][NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[nH:17][c:18](-[c:20]2[cH:21][cH:22][c:23]([CH2:26][OH:27])[cH:24][cH:25]2)[cH:19]3)[cH:28][cH:29][cH:30]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[Cl:3][CH2:26][c:23]1[cH:22][cH:21][c:20](-[c:18]2[nH:17][c:13]3[c:12]([c:11]([NH:10][CH2:9][c:8]4[cH:7][c:6]([Cl:5])[cH:30][cH:29][cH:28]4)[n:16][cH:15][n:14]3)[cH:19]2)[cH:25][cH:24]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 24386Thionyl ChlorideHCID 69179539{4-[4-(3-Chloro-benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenyl}-methanol

Product 1

HCID 69179730(3-Chloro-benzyl)-[6-(4-chloromethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine

Sources & evidence

ORD record
ord-89ec611e434b4d828ac3e459c1d1b1ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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