Water → HCID 67193487, compound

HRID 153839Notes

Reaction equation

HRID 153839 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][NH:14][c:15]2[c:16]([O:29][c:30]3[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]3)[n:17][c:18](-[c:21]3[cH:22][n:23][cH:24][c:25]([O:27][CH3:28])[cH:26]3)[n:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[CH3:37][C:38]([Cl:39])=[O:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][NH:14][c:15]2[c:16]([O:29][c:30]3[cH:31][c:32]([O:36][C:38]([CH3:37])=[O:40])[cH:33][cH:34][cH:35]3)[n:17][c:18](-[c:21]3[cH:22][n:23][cH:24][c:25]([O:27][CH3:28])[cH:26]3)[n:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 962WaterHCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 67195573HCID 67195573, compound

Product 1

HCID 67193487HCID 67193487, compound

Sources & evidence

ORD record
ord-f81f599b6ac7467eae4025d5a4e0cc24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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