HRID2343281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22992323

1-Amino-2-phenylpentan-2-ol

C11H17NO

结构：CC(C)(C)OC(=O)NCc1ccc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)nc1

HCID59200404

未命名化合物

PRODUCTS

生成物

结构：CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccc(CNC(=O)OC(C)(C)C)cn3)s2)c1F)c1ccccc1

HCID59200491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2787944d24fa4f5292c4f9f059294a9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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