HRID189671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7196

1,3-Benzodioxole-5-carboxylic acid

C8H6O4

结构：Fc1cc(COC2CCNCC2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1

HCID69059219

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc2c(c1)OCO2)N1CCC(OCc2cc(F)cc(C(F)(F)F)c2)C(C(c2ccccc2)c2ccccc2)C1

HCID69057060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66993bcf15e749b8b4dda075b3175047
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:34]([c:35]1[cH:36][c:37]2[c:41]([cH:42][cH:43]1)[O:40][CH2:39][O:38]2)(=[O:44])[OH:45].[CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][NH:17][CH2:18][CH2:19][CH:20]1[O:21][CH2:22][c:23]1[cH:24][c:25]([F:33])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1.[ClH:1]>>[CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][N:17]([C:34]([c:35]2[cH:36][c:37]3[c:41]([cH:42][cH:43]2)[O:40][CH2:39][O:38]3)=[O:44])[CH2:18][CH2:19][CH:20]1[O:21][CH2:22][c:23]1[cH:24][c:25]([F:33])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1