1,2-Dichloroethane → tert-butyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-8-[[3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxylate

HRID 1206263Notes

Reaction equation

HRID 1206263 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20])[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:29][cH:30]1)[O:24]3.[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:43][O:44][C:45]([CH:46]([CH2:47][c:48]1[cH:49][cH:50][c:51](-[c:54]2[c:55]([CH3:61])[c:56]([CH3:60])[n:57][cH:58][cH:59]2)[cH:52][cH:53]1)[NH2:62])=[O:63].[Cl:78][CH2:79][Cl:80].[ClH:41].[ClH:42].[OH:68][n:69]1[c:70]2[c:71]([cH:72][cH:73][cH:74][cH:75]2)[n:76][n:77]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[NH:62][CH:46]([C:45]([O:44][CH3:43])=[O:63])[CH2:47][c:48]1[cH:49][cH:50][c:51](-[c:54]2[c:55]([CH3:61])[c:56]([CH3:60])[n:57][cH:58][cH:59]2)[cH:52][cH:53]1)[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:29][cH:30]1)[O:24]3

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 66719308HCID 66719308, compoundHCID 66719329HCID 66719329, compound

Product 1

HCID 178499767tert-butyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-8-[[3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxylate

Sources & evidence

ORD record
ord-11121952d4c14524b7c11984cfe9055a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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