HRID1552516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8471

Triethylamine

C6H15N

HCID14126748

1-(2-Chloroethyl)-4-(2,4-difluorophenyl)piperazine

C12H15ClF2N2

HCID178506204

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(N2CCN(CCSc3nnc4c(C(F)(F)F)cccn34)CC2)c(F)c1

HCID14126751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c99bd72a056d488486669d3edc6fe2af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:35][CH2:36][OH:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:15][CH2:16][CH2:17][N:18]1[CH2:19][CH2:20][N:21]([c:24]2[c:25]([F:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH2:22][CH2:23]1.[ClH:32].[Na+:34].[OH-:33].[SH:1][c:2]1[n:3][n:4][c:5]2[n:6]1[cH:7][cH:8][cH:9][c:10]2[C:11]([F:12])([F:13])[F:14]>>[S:1]([c:2]1[n:3][n:4][c:5]2[n:6]1[cH:7][cH:8][cH:9][c:10]2[C:11]([F:12])([F:13])[F:14])[CH2:16][CH2:17][N:18]1[CH2:19][CH2:20][N:21]([c:24]2[c:25]([F:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH2:22][CH2:23]1