HRID116743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID28486

Lithium ion

Li+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2736879

2-[(2H-1,3-Benzodioxol-5-yl)oxy]pyridine-3-carboxylic acid

C13H9NO5

HCID20872623

4-(Aminomethyl)-3-fluorophenol

C7H8FNO

PRODUCTS

生成物

结构：O=C(NCc1ccc(O)cc1F)c1cccnc1Oc1ccc2c(c1)OCO2

HCID22610118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de2df9635663414788fb22fd25746e8a
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

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