HRID1235094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

结构：COc1ccc(C(OCCC(O)CCN)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID68745474

未命名化合物

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)Oc5ccc([N+](=O)[O-])cc5)CCC4(C)C3CCC12C

HCID178442610

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(OCCC(O)CCNC(=O)OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID178491463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eb0226953bf4056aff8c22566b72b76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:39]([O:40][c:42]1[cH:43][cH:44][c:45]([N+:46]([O-:47])=[O:48])[cH:49][cH:50]1)(=[O:41])[O:51][CH:52]1[CH2:53][CH:54]2[CH2:55][CH2:56][CH:57]3[CH:58]4[CH2:59][CH2:60][CH:61]([CH:62]([CH2:63][CH2:64][CH2:65][CH:66]([CH3:67])[CH3:68])[CH3:69])[C:70]4([CH3:78])[CH2:71][CH2:72][CH:73]3[C:74]2([CH3:77])[CH2:75][CH2:76]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[NH2:1][CH2:2][CH2:3][CH:4]([CH2:5][CH2:6][O:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[c:23]1[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1)[OH:31]>>[NH:1]([CH2:2][CH2:3][CH:4]([CH2:5][CH2:6][O:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[c:23]1[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1)[OH:31])[C:39](=[O:40])[O:51][CH:52]1[CH2:53][CH:54]2[CH2:55][CH2:56][CH:57]3[CH:58]4[CH2:59][CH2:60][CH:61]([CH:62]([CH2:63][CH2:64][CH2:65][CH:66]([CH3:67])[CH3:68])[CH3:69])[C:70]4([CH3:78])[CH2:71][CH2:72][CH:73]3[C:74]2([CH3:77])[CH2:75][CH2:76]1