Toluene → Azd-6703

HRID 171384Notes

Reaction equation

[CH2:42]([Cl:43])[Cl:44].[CH3:1][c:2]1[c:3](-[n:11]2[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([N:22]4[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]4)[cH:18][c:19]3[c:20]2=[O:21])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:38]1([NH2:41])[CH2:39][CH2:40]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[S:34]([Cl:35])([Cl:36])=[O:37]>>[CH3:1][c:2]1[c:3](-[n:11]2[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([N:22]4[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]4)[cH:18][c:19]3[c:20]2=[O:21])[cH:4][c:5]([C:6](=[O:7])[NH:41][CH:38]2[CH2:39][CH2:40]2)[cH:9][cH:10]1

Participants

Reactant 6

HCID 1140Toluene

HCID 6228Dimethylformamide

HCID 6344Dichloromethane

HCID 24386Thionyl Chloride

HCID 69828Cyclopropylamine

HCID 669188194-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzoic acid

Product 1

HCID 11373432Azd-6703

Sources & evidence

ORD record: ord-59af07fce0724d7db63bb5f61853b458
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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