HRID696076

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：FC(F)(F)c1cc(COC2CCNCC2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1

HCID87677864

未命名化合物

PRODUCTS

生成物

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

HCID87678589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-523756d7774543ef805c29b26930263b
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:37]([c:38]1[cH:39][c:40]2[c:44]([cH:45][cH:46]1)[O:43][CH2:42][O:41]2)(=[O:47])[OH:48].[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]([C:33]([F:34])([F:35])[F:36])[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:37]([c:38]2[cH:39][c:40]3[c:44]([cH:45][cH:46]2)[O:43][CH2:42][O:41]3)=[O:47])[CH2:18][CH2:19][CH:20]1[O:21][CH2:22][c:23]1[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1