Acetonitrile → HCID 86661738, compound

HRID 2137841Notes

Reaction equation

HRID 2137841 reaction equation
[CH3:51][C:52]#[N:53].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][C:16]([F:18])([c:19]2[c:20]([Br:43])[cH:21][c:22]([C:25]3=[N:26][O:27][C:28]([C:30]([F:31])([F:32])[F:33])([c:34]4[cH:35][c:36]([Cl:42])[c:37]([Cl:41])[c:38]([Cl:40])[cH:39]4)[CH2:29]3)[cH:23][cH:24]2)[CH2:17]1.[Cl:44][C:45]([O:46][CH:47]([Cl:48])[CH3:49])=[O:50].[Cl:54][CH2:55][Cl:56]>>[NH:14]1[CH2:15][C:16]([F:18])([c:19]2[c:20]([Br:43])[cH:21][c:22]([C:25]3=[N:26][O:27][C:28]([C:30]([F:31])([F:32])[F:33])([c:34]4[cH:35][c:36]([Cl:42])[c:37]([Cl:41])[c:38]([Cl:40])[cH:39]4)[CH2:29]3)[cH:23][cH:24]2)[CH2:17]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 5213051-Chloroethyl chloroformateHCID 86661737HCID 86661737, compound

Product 1

HCID 86661738HCID 86661738, compound

Sources & evidence

ORD record
ord-bd1b1a1df4d844dba2f97e073487291f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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