HRID686671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID135957253

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NC1CN2CCC1CC2)c1cccc2oc(-c3ccccc3O)nc12

HCID136162983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c91be9d5009249cc9d6705f6e6938f21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:60](=[O:61])([OH:62])[O-:63].[CH2:21]([N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[CH3:31].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[ClH:20].[ClH:42].[ClH:43].[NH2:44][CH:45]1[CH2:46][N:47]2[CH2:48][CH2:49][CH:50]1[CH2:51][CH2:52]2.[Na+:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:1][c:2]1[c:3](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[c:13]([C:17](=[O:18])[OH:19])[cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1.[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[ClH:20].[OH:1][c:2]1[c:3](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[c:13]([C:17](=[O:19])[NH:44][CH:45]2[CH2:46][N:47]4[CH2:48][CH2:49][CH:50]2[CH2:51][CH2:52]4)[cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1