HRID284334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID5250894

未命名化合物

HCID14795867

4-Fluoro-2,3-dihydro-1H-isoindole

C8H8FN

结构：C=CC1CC1(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(=O)OCC

HCID23571603

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)OC(C)(C)C)C(=O)OCC

HCID76593712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2cdd97ed57d41ce9d269268d53b17c0
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

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