HRID1567381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：O=C(O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O

HCID59645223

未命名化合物

HCID59645250

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O

HCID3013400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0242b2b36181489fa8cfb53118b1b114
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

[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl-:45].[ClH:23].[F:46][c:47]1[cH:48][c:49]([C:55](=[O:56])[NH:57][CH:58]([CH3:59])[CH3:60])[c:50]([CH2:53][NH3+:54])[cH:51][cH:52]1.[Na+:69].[O:1]=[S:2]1(=[O:22])[N:3]([c:8]2[c:9]3[cH:10][cH:11][cH:12][n:13][c:14]3[c:15]([OH:21])[c:16]([C:18](=[O:19])[OH:20])[n:17]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH-:68].[OH2:70].[OH:35][n:36]1[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[O:1]=[S:2]1(=[O:22])[N:3]([c:8]2[c:9]3[cH:10][cH:11][cH:12][n:13][c:14]3[c:15]([OH:21])[c:16]([C:18](=[O:19])[NH:54][CH2:53][c:50]3[c:49]([C:55](=[O:56])[NH:57][CH:58]([CH3:59])[CH3:60])[cH:48][c:47]([F:46])[cH:52][cH:51]3)[n:17]2)[CH2:4][CH2:5][CH2:6][CH2:7]1