1,2-Dichloroethane → 6-tert-butyl-2-(3-{5-[5-(1,1-dimethyl-2-morpholin-4-yl-2-oxo-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-2-hydroxymethyl-phenyl)-8-fluoro-2H-phthalazin-1-one

HRID 2342157Notes

Reaction equation

HRID 2342157 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:44][OH:45])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([C:38]([C:39](=[O:40])[OH:41])([CH3:42])[CH3:43])[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[cH:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1.[CH2:46]1[CH2:47][O:48][CH2:49][CH2:50][NH:51]1.[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl-:56].[Cl:67][CH2:68][Cl:69].[NH4+:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:44][OH:45])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([C:38]([C:39](=[O:40])[N:51]6[CH2:46][CH2:47][O:48][CH2:49][CH2:50]6)([CH3:42])[CH3:43])[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[cH:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 223AmmoniumHCID 312ChlorideHCID 6344DichloromethaneHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 469088042-(6-{5-[3-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-2-hydroxymethyl-phenyl]-1-methyl-2-oxo-1,2-dihydro-pyridin-3-ylamino}-pyridin-3-yl)-2-methyl-propionic acid

Product 1

HCID 469088056-tert-butyl-2-(3-{5-[5-(1,1-dimethyl-2-morpholin-4-yl-2-oxo-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-2-hydroxymethyl-phenyl)-8-fluoro-2H-phthalazin-1-one

Sources & evidence

ORD record
ord-23851bd1a70e43b4b33a057fabc084c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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