HRID90504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID67386283

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1(c2cccc(F)c2)CCC(=CC(=O)NCCc2c[nH]c3ccccc23)CC1

HCID11547020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bd321abc542482eb0db266c675a2968
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:23][N:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[CH3:30][N:31]([C:32]1([c:42]2[cH:43][c:44]([F:48])[cH:45][cH:46][cH:47]2)[CH2:33][CH2:34][C:35](=[CH:38][C:39](=[O:40])[OH:41])[CH2:36][CH2:37]1)[CH3:49].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:50]1([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[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+:66].[OH-:65].[OH2:72].[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:39]([CH:38]=[C:35]1[CH2:34][CH2:33][C:32]([N:31]([CH3:30])[CH3:49])([c:42]2[cH:43][c:44]([F:48])[cH:45][cH:46][cH:47]2)[CH2:37][CH2:36]1)=[O:40]