HRID809737

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

HCID22992323

1-Amino-2-phenylpentan-2-ol

C11H17NO

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(Nc3ncc(Sc4ccnc(C(=O)O)c4F)s3)nc2)CC1

HCID59200475

未命名化合物

PRODUCTS

生成物

结构：CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccc(NC4CCN(C(=O)OC(C)(C)C)CC4)cn3)s2)c1F)c1ccccc1

HCID59200444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a9648ddab824df3bf68556691bd91be
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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