HRID286244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID16784249

未命名化合物

结构：COc1ccc(S(=O)(=O)NC(OC2CCCCC2)C(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

HCID178492902

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)NC(OC2CCCCC2)C(O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)c2ccc3ccccc3n2)cc1

HCID178492901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fed5bdfe66d469097b64be11892e092
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH:9]([CH:10]([O:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1)[NH:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]1)[OH:30])[NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38].[CH3:100][N:101]([CH3:102])[CH:103]=[O:104].[CH3:73][N:74]([CH3:75])[CH2:76][CH2:77][CH2:78][N:79]=[C:80]=[N:81][CH2:82][CH3:83].[CH:84]([N:85]([CH:86]([CH3:87])[CH3:88])[CH2:89][CH3:90])([CH3:91])[CH3:92].[ClH:39].[ClH:72].[NH2:40][C:41]([CH2:42][CH:43]([C:44]([OH:45])=[O:46])[NH:47][C:48](=[O:49])[c:50]1[n:51][c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[cH:58][cH:59]1)=[O:60].[OH2:61].[OH:62][n:63]1[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1.[OH:93][C:94]([C:95]([F:96])([F:97])[F:98])=[O:99]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH:9]([CH:10]([O:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1)[NH:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]1)[OH:30])[NH:31][C:32](=[O:38])[CH:43]([CH2:42][C:41]([NH2:40])=[O:60])[NH:47][C:48](=[O:49])[c:50]1[n:51][c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[cH:58][cH:59]1