Acetonitrile → HCID 18464419, compound

HRID 1140114Notes

Reaction equation

HRID 1140114 reaction equation
[CH3:26][O:27][c:28]1[c:29]([C:39](=[O:40])[N:41]2[CH2:42][C:43]([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)([CH2:52][CH2:53][O:54][S:55]([CH3:56])(=[O:57])=[O:58])[CH2:44][CH2:45]2)[cH:30][c:31](-[n:34]2[n:35][n:36][n:37][cH:38]2)[cH:32][cH:33]1.[CH3:68][C:69]#[N:70].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl:71][CH2:72][Cl:73].[IH:1].[IH:2].[N:3]1([c:10]2[n:11][c:12]3[c:13]([n:14]2[CH2:15][CH2:16][n:17]2[n:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9]1>>[N:3]1([c:10]2[n:11][c:12]3[c:13]([n:14]2[CH2:15][CH2:16][n:17]2[n:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[CH2:4][CH2:5][N:6]([CH2:53][CH2:52][C:43]2([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[CH2:42][N:41]([C:39]([c:29]3[c:28]([O:27][CH3:26])[cH:33][cH:32][c:31](-[n:34]4[n:35][n:36][n:37][cH:38]4)[cH:30]3)=[O:40])[CH2:45][CH2:44]2)[CH2:7][CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 24841Hydrogen iodide2×HCID 81531DiisopropylethylamineHCID 184648112-methoxy-5-(1H-tetrazol-1-yl)benzoyl-3-phenyl-3-(2-methanesulfonyloxyethyl)-pyrrolidineHCID 18464861HCID 18464861, compound

Product 1

HCID 18464419HCID 18464419, compound

Sources & evidence

ORD record
ord-dd7054ba5cfc438999bc1b9a1c1a5fb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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