HRID2153713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8788

Benzylsuccinate

C11H12O4

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CC(C)(C)c1ccc(CCC(O)CC2CCCCC2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966195

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CCC(CC2CCCCC2)OC(=O)CCC(=O)OCc2ccccc2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID22078752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64d64b14d4ce43e498a3e4ecf4e14ca5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:22][C:23]([CH2:24][CH:25]2[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)=[O:39])[cH:7][c:8]([CH2:11][CH2:12][CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[OH:21])[cH:9][cH:10]1.[C:40]([CH2:41][CH2:42][C:43](=[O:44])[OH:45])(=[O:46])[O:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH2:56]([N:57]=[C:58]=[N:59][CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65])[CH3:66].[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[ClH:55].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:22][C:23]([CH2:24][CH:25]2[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)=[O:39])[cH:7][c:8]([CH2:11][CH2:12][CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[O:21][C:43]([CH2:42][CH2:41][C:40](=[O:46])[O:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)=[O:44])[cH:9][cH:10]1