Acetonitrile → HCID 59129327, compound

HRID 306409Notes

Reaction equation

HRID 306409 reaction equation
[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:62][C:63]#[N:64].[NH2:47][c:48]1[cH:49][c:50]2[cH:51][c:52]([C:57]([CH2:58][OH:59])([CH3:60])[CH3:61])[nH:53][c:54]2[cH:55][cH:56]1.[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[OH:15])[CH2:11][CH2:12]1)[cH:9]2.[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:15])[NH:47][c:48]3[cH:49][c:50]4[cH:51][c:52]([C:57]([CH2:58][OH:59])([CH3:60])[CH3:61])[nH:53][c:54]4[cH:55][cH:56]3)[CH2:11][CH2:12]1)[cH:9]2

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 143496081-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acidHCID 59129294HCID 59129294, compound

Product 1

HCID 59129327HCID 59129327, compound

Sources & evidence

ORD record
ord-8ab9244c08144c2c8e7e0266c5d5d86c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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