HRID159798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(c1cccc2cc(C3=NCC(CC(=O)O)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135943

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(C3=NCC(CC(=O)N4CCOCC4)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135668

N-methyl-N-{2-[5-(2-morpholino-2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}thiophene-2-sulfonamide

C22H24N4O4S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c96f57ba5e941db8fa59b142c8de4b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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