HRID2162659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：CC1Cc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3C(=O)O)sc2CN1

HCID22710353

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3C(=O)NOC3CCCCO3)sc2CN1

HCID22710662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a9b26e1ed9d45df9fd547775639df27
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:67](=[O:68])([O-:69])[O-:70].[CH3:56][N:57]([CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65])[CH3:66].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([C:33](=[O:34])[OH:35])[N:18]([C:21](=[O:22])[c:23]4[s:24][c:25]5[c:30]([n:31]4)[CH2:29][CH:28]([CH3:32])[NH:27][CH2:26]5)[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[ClH:55].[K+:71].[K+:72].[O:36]1[CH:37]([O:42][NH2:43])[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:44].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([C:33](=[O:34])[NH:43][O:42][CH:37]4[O:36][CH2:41][CH2:40][CH2:39][CH2:38]4)[N:18]([C:21](=[O:22])[c:23]4[s:24][c:25]5[c:30]([n:31]4)[CH2:29][CH:28]([CH3:32])[NH:27][CH2:26]5)[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1