HRID1229570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1150

Tryptamine

C10H12N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67386288

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1(c2ccc(F)cc2)CCC(=CC(=O)NCCc2c[nH]c3ccccc23)CC1

HCID11705178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09c3d8142bc1414a8aa9382936890d57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:23][N:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[CH3:31][N:32]([C:33]1([c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[CH2:34][CH2:35][C:36](=[CH:39][C:40](=[O:41])[OH:42])[CH2:37][CH2:38]1)[CH3:50].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:51]1([N:52]=[C:53]=[N:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[ClH:30].[NH2:11][CH2:12][CH2:13][c:14]1[cH:15][nH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12.[Na+:67].[OH-:66].[OH2:68].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:11]([CH2:12][CH2:13][c:14]1[cH:15][nH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12)[C:40]([CH:39]=[C:36]1[CH2:35][CH2:34][C:33]([N:32]([CH3:31])[CH3:50])([c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[CH2:38][CH2:37]1)=[O:41]