HRID119946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID81531

Diisopropylethylamine

C8H19N

HCID19363746

1-(Chloromethyl)-4-(cyclopropylmethoxy)benzene

C11H13ClO

结构：OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1

HCID19363748

未命名化合物

PRODUCTS

生成物

结构：OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(OCC3CC3)cc2)CC1

HCID11837562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1222d9b231c41b88d8b7d8d5a25ad48
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

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