1,2-Dichloroethane → 3-(((4-(3-Chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylazetidine-3-carboxamide

HRID 203687Notes

Reaction equation

HRID 203687 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH2:33]=[O:34].[CH3:49][C:50](=[O:51])[OH:52].[Cl:2][c:3]1[c:4]([F:32])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:30][CH3:31])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH2:28])[CH2:23][NH:24][CH2:25]4)[CH3:29])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1.[Cl:53][CH2:54][CH2:55][Cl:56].[ClH:1].[Na+:48]>>[Cl:2][c:3]1[c:4]([F:32])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:30][CH3:31])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH2:28])[CH2:23][N:24]([CH3:35])[CH2:25]4)[CH3:29])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 579798103-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]azetidine-3-carboxamide

Product 1

HCID 115326763-(((4-(3-Chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylazetidine-3-carboxamide

Sources & evidence

ORD record
ord-8851987c91024e6683b09bcc68161a74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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