p-Toluenesulfonic acid → HCID 70090636, compound

HRID 1217841Notes

Reaction equation

HRID 1217841 reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][O:9][C:10](=[O:11])[CH:12]([CH2:13][CH:14]([C:15](=[O:16])[Cl:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH2:63]([Cl:64])[Cl:65].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[NH2:43][CH2:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][O:9][C:10](=[O:11])[CH:12]([CH2:13][CH:14]([C:15](=[O:16])[NH:43][CH2:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1

Participants

6

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 1116164Benzyl 3-aminopropanoateHCID 763779022,2-Dimethylpropanoyloxymethyl 2,4-dibenzyl-5-chloro-5-oxopentanoate

Product 1

HCID 70090636HCID 70090636, compound

Sources & evidence

ORD record
ord-3399a3d494f043db89c067fe5278009b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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