HRID197416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79341

Piperidin-4-ol

C5H11NO

结构：COc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)O)S3)[nH]c12

HCID59135901

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)N4CCC(O)CC4)S3)[nH]c12

HCID59135691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-989fb82ee9e24868a048ae933c4123fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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