Benzene → Ethyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-phenylglycinate

HRID 1560025Notes

Reaction equation

HRID 1560025 reaction equation
[CH2:27]([CH3:28])[O:29][C:30]([CH2:31][NH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[CH2:40]([Cl:41])[Cl:42].[CH3:1][NH:2][C:3]([O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[c:13]1[O:12][C:11]([CH3:14])([CH3:15])[CH2:10]2)=[O:16].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[S:17]([Cl:18])[Cl:19].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[c:13]1[O:12][C:11]([CH3:14])([CH3:15])[CH2:10]2)=[O:16])[S:17][N:32]([CH2:31][C:30]([O:29][CH2:27][CH3:28])=[O:39])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 2566CarbofuranHCID 6344DichloromethaneHCID 8058HexaneHCID 8471TriethylamineHCID 25353Sulfur dichlorideHCID 75190N-Phenylglycine ethyl ester

Product 1

HCID 3067960Ethyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-phenylglycinate

Sources & evidence

ORD record
ord-1630964fe55d47a68881f05e57b88089
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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