HRID1574991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID656129

Imidazole-1-acetic acid

C5H6N2O2

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

HCID19966195

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)c1ccc(CCC(CC2CCCCC2)OC(=O)Cn2ccnc2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65345ecf0c924064a80e5a9ff26889b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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.[CH2:80]([Cl:81])[Cl:82].[CH3:71][N:72]([c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1)[CH3:79].[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[ClH:61].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[n:62]1([CH2:67][C:68](=[O:69])[OH:70])[cH:63][n:64][cH:65][cH:66]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:68]([CH2:67][n:62]2[cH:63][n:64][cH:65][cH:66]2)=[O:69])[cH:9][cH:10]1.[ClH:61]