HRID105202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1

HCID59198793

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1

HCID59198710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-009dea50dbfe418ebc4d11da8f35626c
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

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