Water → HCID 9924537, compound

HRID 1540400Notes

Reaction equation

HRID 1540400 reaction equation
[C:1]([C:2]#[C:3][CH3:4])(=[O:5])[OH:6].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:7][N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1.[Cl:14][C:15]([O:16][CH2:17][CH:18]([CH3:19])[CH3:20])=[O:21].[NH2:22][c:23]1[cH:24][c:25]2[c:26]([NH:35][c:36]3[cH:37][c:38]([C:42]#[CH:43])[cH:39][cH:40][cH:41]3)[c:27]([C:33]#[N:34])[cH:28][n:29][c:30]2[cH:31][cH:32]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[C:1]([C:2]#[C:3][CH3:4])(=[O:6])[NH:22][c:23]1[cH:24][c:25]2[c:26]([NH:35][c:36]3[cH:37][c:38]([C:42]#[CH:43])[cH:39][cH:40][cH:41]3)[c:27]([C:33]#[N:34])[cH:28][n:29][c:30]2[cH:31][cH:32]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 685352-Butynoic acidHCID 9878925HCID 9878925, compound

Product 1

HCID 9924537HCID 9924537, compound

Sources & evidence

ORD record
ord-d38e163fee094cbfab8ee86a3b23c9c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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