1,2-Dichloroethane → 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-N,1-dimethylazetidine-3-carboxamide

HRID 2315518Notes

Reaction equation

HRID 2315518 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH2:34]=[O:35].[CH3:59][C:60](=[O:61])[OH:62].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:2][c:3]1[c:4]([F:33])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:31][CH3:32])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH:28][CH3:29])[CH2:23][NH:24][CH2:25]4)[CH3:30])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1.[Cl:63][CH2:64][CH2:65][Cl:66].[ClH:1].[Na+:58]>>[Cl:2][c:3]1[c:4]([F:33])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:31][CH3:32])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH:28][CH3:29])[CH2:23][N:24]([CH3:36])[CH2:25]4)[CH3:30])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 579798733-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-N-methylazetidine-3-carboxamide

Product 1

HCID 579798463-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-N,1-dimethylazetidine-3-carboxamide

Sources & evidence

ORD record
ord-23450fc47c874e61b9e1324dc9baa16e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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