HRID1140560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9240

3-Azabicyclo[3.2.2]nonane

C8H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

HCID178525832

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1)N1CC2CCC(CC2)C1

HCID178521224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003df2f3f0d64572970c403d870a3841
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:68](=[O:69])([OH:70])[O-:71].[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:37]12[CH2:38][NH:39][CH2:40][CH:41]([CH2:42][CH2:43]1)[CH2:44][CH2:45]2.[ClH:46].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:18][c:19]3[cH:20][nH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]34)[CH2:10][N:11]([CH2:14][C:15](=[O:16])[OH:17])[CH2:12][CH2:13]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[Na+:72].[OH:58][n:59]1[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[ClH:46].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:18][c:19]3[cH:20][nH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]34)[CH2:10][N:11]([CH2:14][C:15](=[O:17])[N:39]3[CH2:38][CH:37]4[CH2:43][CH2:42][CH:41]([CH2:40]3)[CH2:44][CH2:45]4)[CH2:12][CH2:13]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36]