Methane → methyl 2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-methylsulfonyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-[(2,3-dimethyl-4-pyridinyl)oxy]phenyl]propanoate

HRID 1542569

Reaction equation

HRID 1542569 reaction equation
[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([O:14][c:15]2[c:16]([CH3:22])[c:17]([CH3:21])[n:18][cH:19][cH:20]2)[cH:12][cH:13]1)[NH:23][C:24](=[O:25])[CH:26]1[NH:27][CH2:28][c:29]2[cH:30][c:31]3[c:32]([cH:33][c:34]2[CH2:35]1)[O:36][CH2:37][CH:38]([c:40]1[cH:41][cH:42][c:43]([O:46][CH2:47][c:48]2[cH:49][c:50]([Cl:55])[c:51]([Cl:54])[cH:52][cH:53]2)[cH:44][cH:45]1)[O:39]3)=[O:56].[CH4:62].[ClH:1].[ClH:2].[S:57](=[O:58])(=[O:59])([Cl:60])[Cl:61]>>[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([O:14][c:15]2[c:16]([CH3:22])[c:17]([CH3:21])[n:18][cH:19][cH:20]2)[cH:12][cH:13]1)[NH:23][C:24](=[O:25])[CH:26]1[N:27]([S:57](=[O:58])(=[O:59])[CH3:62])[CH2:28][c:29]2[cH:30][c:31]3[c:32]([cH:33][c:34]2[CH2:35]1)[O:36][CH2:37][CH:38]([c:40]1[cH:41][cH:42][c:43]([O:46][CH2:47][c:48]2[cH:49][c:50]([Cl:55])[c:51]([Cl:54])[cH:52][cH:53]2)[cH:44][cH:45]1)[O:39]3)=[O:56]

Participants

5

Reactant 4

HCID 297MethaneHCID 313Hydrochloric Acid2×HCID 24648Sulfuryl chlorideHCID 76761558Methyl 2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-[(2,3-dimethyl-4-pyridinyl)oxy]phenyl]propanoate

Product 1

HCID 178499942methyl 2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-methylsulfonyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-[(2,3-dimethyl-4-pyridinyl)oxy]phenyl]propanoate

Sources & evidence

ORD record
ord-5db5e034edbb4141bbf061508dddf04f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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