HRID305849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID43146583

1-[3-(Trifluoromethyl)phenyl]cyclopropan-1-amine

C10H10F3N

结构：Cc1cccc(Cl)c1Nc1nc2cc(C(=O)O)c3c(c2[nH]1)CC(C)(C)O3

HCID178425067

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Cl)c1Nc1nc2cc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)c3c(c2[nH]1)CC(C)(C)O3

HCID178425047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41eb11a9787a4b40bba68a281e42cf24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[F:31][C:32]([c:33]1[cH:34][c:35]([C:39]2([NH2:42])[CH2:40][CH2:41]2)[cH:36][cH:37][cH:38]1)([F:43])[F:44].[S:27]([Cl:28])([Cl:29])=[O:30].[cH:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:26])[NH:42][C:39]2([c:35]4[cH:34][c:33]([C:32]([F:31])([F:43])[F:44])[cH:38][cH:37][cH:36]4)[CH2:40][CH2:41]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1