Acetonitrile → HCID 57665066, compound

HRID 689776Notes

Reaction equation

HRID 689776 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[n:20]2[n:21][n:22][c:23]([C:31](=[O:32])[OH:33])[c:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][F:30])[cH:11][cH:12][c:13]([C:15](=[O:16])[NH:17][CH2:18][CH3:19])[cH:14]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:55][C:56]#[N:57].[CH:34]1([NH2:37])[CH2:35][CH2:36]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[n:20]2[n:21][n:22][c:23]([C:31](=[O:32])[NH:37][CH:34]3[CH2:35][CH2:36]3)[c:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][F:30])[cH:11][cH:12][c:13]([C:15](=[O:16])[NH:17][CH2:18][CH3:19])[cH:14]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 69828CyclopropylamineHCID 757711-HydroxybenzotriazoleHCID 68515702HCID 68515702, compound

Product 1

HCID 57665066HCID 57665066, compound

Sources & evidence

ORD record
ord-b8d9e84e21d942f7b52d67b92a124124
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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