Water → HCID 22466605, compound

HRID 1122634Notes

Reaction equation

HRID 1122634 reaction equation
[C:1]([C:2]#[C:3][CH3:4])(=[O:5])[OH:6].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:15][N:16]1[CH2:17][CH2:18][O:19][CH2:20][CH2:21]1.[Cl:7][C:8]([O:9][CH2:10][CH:11]([CH3:12])[CH3:13])=[O:14].[NH2:22][c:23]1[cH:24][c:25]2[c:26]([NH:35][c:36]3[cH:37][c:38]([CH:42]([CH3:43])[CH3:44])[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:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55]>>[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]([CH:42]([CH3:43])[CH3:44])[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 22466682HCID 22466682, compound

Product 1

HCID 22466605HCID 22466605, compound

Sources & evidence

ORD record
ord-ce8b843378f64820ae1083774f3738f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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