Acetic Acid → HCID 178507603, compound

HRID 149949Notes

Reaction equation

HRID 149949 reaction equation
[CH2:54]([SnH:55]([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH2:6]([O:7][C:8](=[O:9])[NH:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][N:18]2[C:19](=[O:47])[C:20](=[CH:23][C:24]3=[C:25]([C:44](=[O:45])[OH:46])[N:26]4[C:27](=[O:43])[CH:28]([NH:32][C:33]([CH2:34][S:35][c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)=[O:42])[CH:29]4[S:30][CH2:31]3)[CH2:21][CH2:22]2)[cH:48][cH:49]1)[CH:10]=[CH2:11].[CH3:50][C:51](=[O:52])[OH:53].[CH3:67][CH2:68][O:69][CH2:70][CH3:71].[Cl:72][CH2:73][Cl:74].[nH:1]1[cH:2][cH:3][n:4][cH:5]1>>[NH2:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][N:18]2[C:19](=[O:47])[C:20](=[CH:23][C:24]3=[C:25]([C:44](=[O:45])[OH:46])[N:26]4[C:27](=[O:43])[CH:28]([NH:32][C:33]([CH2:34][S:35][c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)=[O:42])[CH:29]4[S:30][CH2:31]3)[CH2:21][CH2:22]2)[cH:48][cH:49]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 795ImidazoleHCID 3283Diethyl EtherHCID 5948TributylstannaneHCID 6344DichloromethaneHCID 178459825HCID 178459825, compound

Product 1

HCID 178507603HCID 178507603, compound

Sources & evidence

ORD record
ord-3d488bb66edf4433ae0811e10112f4d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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