HRID116890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID12889

Benzoic acid, 3,5-bis(trifluoromethyl)-

C9H4F6O2

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(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C(c2ccccc2)c2ccccc2)C1

HCID87676679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13bd317e38b6407f8260ea0e04fcbe35
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

[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].[F:37][C:38]([c:39]1[cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53]>>[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:42]([c:41]2[cH:40][c:39]([C:38]([F:37])([F:52])[F:53])[cH:47][c:46]([C:48]([F:49])([F:50])[F:51])[cH:45]2)=[O:43])[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