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

HRID 1225479Notes

Reaction equation

HRID 1225479 reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:34][C:35]([CH3:36])=[O:37].[CH3:61][C:62](=[O:63])[OH:64].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[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:65][CH2:66][CH2:67][Cl:68].[ClH:1].[Na+:60]>>[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]([CH:35]([CH3:34])[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 180AcetoneHCID 313Hydrochloric AcidHCID 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 579798583-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-isopropyl-N-methylazetidine-3-carboxamide

Sources & evidence

ORD record
ord-60e067c7068a413fb8b78df295e94d62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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