HRID1149175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID23091910

5-(Trifluoromethyl)-2,3-dihydro-1H-isoindole

C9H8F3N

结构：O=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O

HCID67357191

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1Cc2ccc(C(F)(F)F)cc2C1

HCID67442505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47cc4baadc42441092f6b58bfac01281
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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