HRID1209648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CS(=O)(=O)c1ccc(Oc2ccc3[nH]c(C4=NCC(CC(=O)O)S4)cc3c2)cn1

HCID58081046

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(Oc2ccc3[nH]c(C4=NCC(CC(=O)NCC(F)(F)F)S4)cc3c2)cn1

HCID66726190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a582410a119b4007b1d250542fc69bbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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