HRID285240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID327593

2-(3-PIRIDYL)THIAZOLIDINE-4-CARBOXYLIC ACID

C9H10N2O2S

HCID14649430

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CCN1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1)c1ccccc1

HCID131436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf51af9ba90645c4978b34e1f8230c53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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