HRID145383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID667618

1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine

C10H12F3N3

结构：O=C(NCC(F)(F)F)C1(CCCCBr)c2ccccc2-c2ccccc21

HCID10526437

9-(4-Bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C20H19BrF3NO

PRODUCTS

生成物

结构：O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc2-c2ccccc21

HCID22640124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9766c8b43dec4854a0b7812fd3e69218
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[F:17][C:18]([CH2:19][NH:20][C:21](=[O:22])[C:23]1([CH2:36][CH2:37][CH2:38][CH2:39][Br:40])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2-[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]21)([F:41])[F:42].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:7][cH:8]1)([F:15])[F:16]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([CH2:39][CH2:38][CH2:37][CH2:36][C:23]3([C:21]([NH:20][CH2:19][C:18]([F:17])([F:41])[F:42])=[O:22])[c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]4-[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[CH2:13][CH2:14]2)[n:7][cH:8]1)([F:15])[F:16]