Toluene → HCID 178453812, compound

HRID 1222618Notes

Reaction equation

HRID 1222618 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[NH:12][CH:13]1[CH:14]([CH2:18][I:19])[NH:15][C:16]1=[O:17])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[C:31]([CH:32]=[O:33])(=[O:34])[O:35][CH:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH2:26]([Li:27])[CH2:28][CH2:29][CH3:30].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[NH:12][CH:13]1[CH:14]([CH2:18][I:19])[N:15]([CH:32]([C:31](=[O:34])[O:35][CH:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[OH:33])[C:16]1=[O:17])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8058HexaneHCID 10988378HCID 10988378, compoundHCID 70577116HCID 70577116, compoundHCID 178418339Butyllithium

Product 1

HCID 178453812HCID 178453812, compound

Sources & evidence

ORD record
ord-2bd6f81a15f24790adb6d8cc1584c30c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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