Dichloromethane → (+/-)-Acetic acid (1RS,3RS,4RS)-4-{[1-(3,4-bis-cyclopropylmethoxyphenyl)methanoyl]-amino}-3-(3,4-dimethoxyphenyl)cyclohexyl ester

HRID 2348521Notes

Reaction equation

HRID 2348521 reaction equation
[CH2:41]([Cl:42])[Cl:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH:22]1([CH2:25][O:26][c:27]2[cH:28][c:29]([C:30](=[O:31])[Cl:32])[cH:33][cH:34][c:35]2[O:36][CH2:37][CH:38]2[CH2:39][CH2:40]2)[CH2:23][CH2:24]1.[NH2:1][CH:2]1[CH:3]([c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:4][CH:5]([O:8][C:9]([CH3:10])=[O:11])[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH:3]([c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:4][CH:5]([O:8][C:9]([CH3:10])=[O:11])[CH2:6][CH2:7]1)[C:30]([c:29]1[cH:28][c:27]([O:26][CH2:25][CH:22]2[CH2:23][CH2:24]2)[c:35]([O:36][CH2:37][CH:38]2[CH2:39][CH2:40]2)[cH:34][cH:33]1)=[O:31]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 179890793,4-Bis(cyclopropylmethoxy)benzoyl chlorideHCID 67022805acetic acid (1RS,3RS,4RS)-4-amino-3-(3,4-dimethoxyphenyl)cyclohexyl ester

Product 1

HCID 86601277(+/-)-Acetic acid (1RS,3RS,4RS)-4-{[1-(3,4-bis-cyclopropylmethoxyphenyl)methanoyl]-amino}-3-(3,4-dimethoxyphenyl)cyclohexyl ester

Sources & evidence

ORD record
ord-2343b74eb337487986100dc2864b4ff5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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