HRID2146040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7237

o-Xylene

C8H10

HCID88638

Benzimidazolone

C12H15N3O

HCID21295671

1~4~,3~4~-Difluoro-2~2~,2~3~,2~5~,2~6~-tetrahydro-2~4~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-2~4~-one

C18H16F2O

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1C1CCN(C2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1

HCID20366888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7abdfb65ca134b48ac4ac7e25357207b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[NH:22]1[CH2:23][CH2:24][CH:25]([n:28]2[c:29](=[O:37])[nH:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[CH2:26][CH2:27]1.[OH2:57].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1.[c:49]1([CH3:50])[c:51]([CH3:52])[cH:53][cH:54][cH:55][cH:56]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[CH2:9][CH2:10][CH:11]([N:22]3[CH2:23][CH2:24][CH:25]([n:28]4[c:29](=[O:37])[nH:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[CH2:26][CH2:27]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1