Acetic Acid → HCID 15870203, compound

HRID 1138893Notes

Reaction equation

HRID 1138893 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:8][C:9]([O:10][C:11](=[O:12])[CH3:13])=[O:14].[CH:5](=[O:6])[OH:7].[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[c:22]2[c:23]([CH3:36])[cH:24][c:25]([CH2:28][c:29]3[n:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]3)[n:26]2[CH3:27])[cH:37][cH:38]1>>[CH:5](=[O:7])[NH:35][c:32]1[cH:31][n:30][c:29]([CH2:28][c:25]2[cH:24][c:23]([CH3:36])[c:22]([C:20]([c:19]3[cH:18][cH:17][c:16]([Cl:15])[cH:38][cH:37]3)=[O:21])[n:26]2[CH3:27])[cH:34][cH:33]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 284Formic AcidHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 15870202{2-[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}amine

Product 1

HCID 15870203HCID 15870203, compound

Sources & evidence

ORD record
ord-b7895ef063b84370979ac552c5ae7640
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…