HRID308465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID14795871

5-Bromo-2,3-dihydro-1H-isoindole

C8H8BrN

结构：CCCCN(C)C(=O)c1cc(C(=O)O)c(OCc2ccccc2)cc1OCc1ccccc1

HCID59614060

未命名化合物

PRODUCTS

生成物

结构：CCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(Br)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID59614125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e915b4e6930e48459bae6b67ba98deed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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