Water → HCID 69019332, compound

HRID 316936Notes

Reaction equation

HRID 316936 reaction equation
[Br:6][c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:42]2)[CH:27]([c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[S:28][CH2:29][c:30]2[n:31]-3[n:32][n:33][n:34]2)[cH:18][cH:19]1.[OH2:43]>>[c:7]1([C:20]([c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]2)([OH:21])[c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:42]2)[CH:27]([c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[S:28][CH2:29][c:30]2[n:31]-3[n:32][n:33][n:34]2)[cH:8][n:9][cH:10][cH:11][cH:12]1

Participants

8

Reactant 7

HCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 122863-BromopyridineHCID 69021592HCID 69021592, compoundHCID 178418339Butyllithium

Product 1

HCID 69019332HCID 69019332, compound

Sources & evidence

ORD record
ord-5048bcc4bdc64a03b7b8d33331120814
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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