Acetonitrile → HCID 178494983, compound

HRID 1240155Notes

Reaction equation

HRID 1240155 reaction equation
[CH3:61][C:62]#[N:63].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:1][c:2]1[cH:3][c:4]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][O:13][CH3:14])([OH:15])[CH:16]2[CH2:17][NH:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][cH:7]1.[Cl:64][CH2:65][Cl:66].[N+:22]([c:23]1[cH:24][cH:25][c:26]([O:29][C:30](=[O:27])[NH:32][CH2:33][CH:34]([CH2:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[cH:28][cH:31]1)([O-:50])=[O:51]>>[Cl:1][c:2]1[cH:3][c:4]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][O:13][CH3:14])([OH:15])[CH:16]2[CH2:17][N:18]([C:30](=[O:29])[NH:32][CH2:33][CH:34]([CH2:35][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 67190389HCID 67190389, compoundHCID 67191592(4-nitrophenyl) N-[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

Product 1

HCID 178494983HCID 178494983, compound

Sources & evidence

ORD record
ord-1174a98ed7e74483aa63f90ecab08eed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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