HRID690860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID30165

Iodide ion

I-

HCID78766

3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione

C10H9ClN2O2

HCID19771957

N,α-Bis(4-fluorophenyl)-4-piperidinemethanamine

C18H20F2N2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID19772050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61d453458e7b48fdbee5c5db821d92d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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