HRID193378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15630

6-Methoxy-2-benzothiazolamine

C8H8N2OS

HCID25134

Boron tribromide

BBr3

结构：COc1ccc2nc(-c3ccc(-c4cnco4)c(I)c3)sc2c1

HCID67404242

未命名化合物

结构：COc1ccc2nc(-c3ccc(-c4cnco4)c(Br)c3)sc2c1

HCID67405730

未命名化合物

PRODUCTS

生成物

结构：Oc1ccc2nc(-c3ccc(-c4cnco4)c(I)c3)sc2c1

HCID67403923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a14aff0099d74427ad45617000a49f87
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

[B:61]([Br:62])([Br:63])[Br:64].[Br:15][c:16]1[cH:17][c:18](-[c:19]2[s:20][c:21]3[cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27][c:28]3[n:29]2)[cH:30][cH:31][c:32]1-[c:33]1[o:34][cH:35][n:36][cH:37]1.[CH3:70][C:71](=[O:72])[OH:73].[Cl:67][CH2:68][Cl:69].[ClH:65].[I:38][c:39]1[c:40](-[c:56]2[cH:57][n:58][cH:59][o:60]2)[cH:41][cH:42][c:43](-[c:45]2[s:46][c:47]3[c:48]([n:49]2)[cH:50][cH:51][c:52]([O:54][CH3:55])[cH:53]3)[cH:44]1.[K+:14].[NH2:1][c:2]1[s:3][c:4]2[cH:5][c:6]([O:7][CH3:8])[cH:9][cH:10][c:11]2[n:12]1.[OH-:13].[OH2:66]>>[I:38][c:39]1[c:40](-[c:56]2[cH:57][n:58][cH:59][o:60]2)[cH:41][cH:42][c:43](-[c:45]2[s:46][c:47]3[c:48]([n:49]2)[cH:50][cH:51][c:52]([OH:54])[cH:53]3)[cH:44]1