HRID179602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID795

Imidazole

C3H4N2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6799

Benzophenone 7

C13H9ClO2

HCID7212

2,4-Dichloro-1-(chloromethyl)benzene

C7H5Cl3

HCID28123

Tetrahydroborate

H4B-

HCID166653

Hydride

H-

HCID12577120

4-Chloro-2-[(1H-imidazol-1-yl)(phenyl)methyl]phenol

C16H13ClN2O

PRODUCTS

生成物

结构：Clc1ccc(COc2ccc(Cl)cc2C(c2ccccc2)n2ccnc2)c(Cl)c1

HCID21481666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa79c018af074c6b98f20b9b86b84629
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:17].[CH3:56][OH:57].[CH3:58][CH2:59][OH:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[c:7]([C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[O:16])[cH:8]1.[Cl:24][c:25]1[cH:26][c:27]([CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]2[cH:40][n:41][cH:42][cH:43]2)[c:28]([OH:31])[cH:29][cH:30]1.[Cl:46][c:47]1[c:48]([CH2:49][Cl:50])[cH:51][cH:52][c:53]([Cl:55])[cH:54]1.[H-:44].[Na+:18].[Na+:45].[OH2:66].[cH:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[nH:19]1[cH:20][cH:21][n:22][cH:23]1>>[Cl:24][c:25]1[cH:26][c:27]([CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]2[cH:40][n:41][cH:42][cH:43]2)[c:28]([O:31][CH2:49][c:48]2[c:47]([Cl:46])[cH:54][c:53]([Cl:55])[cH:52][cH:51]2)[cH:29][cH:30]1