HRID104931

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)Oc1cccc(COC2CCNCC2C(c2ccccc2)c2ccccc2)c1

HCID69060299

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(OCc2cccc(OC(F)(F)F)c2)C(C(c2ccccc2)c2ccccc2)C1

HCID87678161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d4238aace5245a29aed5b4713fe3419
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]([O:29][C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28]1.[ClH:1].[F:34][C:35]([c:36]1[cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50]>>[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:39]([c:38]2[cH:37][c:36]([C:35]([F:34])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]2)=[O:40])[CH2:18][CH2:19][CH:20]1[O:21][CH2:22][c:23]1[cH:24][c:25]([O:29][C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28]1