HRID155614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID614

DL-Proline

C5H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID57443279

Methyl 6-bromo-1-methyl-1H-indole-3-carboxylate

C11H10BrNO2

结构：Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCCNCC1

HCID59369337

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cn(C)c2cc(N3CCCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc12

HCID59369340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a169c75b2acc4c2e86e6bd4840b87b51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:50](=[O:51])([O-:52])[O-:53].[CH3:27][O:28][C:29](=[O:30])[c:31]1[cH:32][n:33]([CH3:41])[c:34]2[cH:35][c:36]([Br:40])[cH:37][cH:38][c:39]12.[CH3:58][S:59](=[O:60])[CH3:61].[CH:2]1([c:5]2[c:6]([CH2:18][O:19][CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25][CH2:26]3)[c:7](-[c:10]3[c:11]([Cl:17])[cH:12][cH:13][cH:14][c:15]3[Cl:16])[n:8][o:9]2)[CH2:3][CH2:4]1.[Cl-:56].[ClH:1].[Cu:62][I:63].[K+:54].[K+:55].[NH4+:57].[NH:42]1[CH2:43][CH2:44][CH2:45][CH:46]1[C:47]([OH:48])=[O:49]>>[CH:2]1([c:5]2[c:6]([CH2:18][O:19][CH:20]3[CH2:21][CH2:22][N:23]([c:36]4[cH:35][c:34]5[n:33]([CH3:41])[cH:32][c:31]([C:29]([O:28][CH3:27])=[O:30])[c:39]5[cH:38][cH:37]4)[CH2:24][CH2:25][CH2:26]3)[c:7](-[c:10]3[c:11]([Cl:17])[cH:12][cH:13][cH:14][c:15]3[Cl:16])[n:8][o:9]2)[CH2:3][CH2:4]1