Acetonitrile → HCID 10177878, compound

HRID 684874Notes

Reaction equation

HRID 684874 reaction equation
[CH2:31]([CH3:32])[CH:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[NH2:40].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][C:47]#[N:48].[Cl:49][CH2:50][Cl:51].[NH2:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[c:11]1[C:12](=[O:13])[OH:14].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[NH2:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[c:11]1[C:12](=[O:14])[NH:40][CH:33]([CH2:31][CH3:32])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 180541-Phenylpropan-1-amineHCID 757711-HydroxybenzotriazoleHCID 10515736HCID 10515736, compound

Product 1

HCID 10177878HCID 10177878, compound

Sources & evidence

ORD record
ord-cb8b33403ee342eab7a523cb93f4f079
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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