HRID2341777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15007

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

C15H22O3

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(CCN)cc3)cc21

HCID86587774

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(CCNC(=O)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3)cc21

HCID18537670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d270ca29e5e34a8da4f73876c29c6ea0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:46]([CH3:47])([CH3:48])([CH3:49])[c:50]1[cH:51][c:52]([C:53](=[O:54])[OH:55])[cH:56][c:57]([C:60]([CH3:61])([CH3:62])[CH3:63])[c:58]1[OH:59].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[ClH:8].[ClH:9].[NH2:10][CH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([O:17][c:18]2[cH:19][cH:20][c:21]3[c:22]([n:23]([CH3:42])[c:24]([CH2:26][O:27][c:28]4[cH:29][cH:30][c:31]([CH2:32][CH:33]5[C:34](=[O:39])[NH:35][C:36](=[O:38])[S:37]5)[cH:40][cH:41]4)[n:25]3)[cH:43]2)[cH:44][cH:45]1>>[ClH:8].[NH:10]([CH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([O:17][c:18]2[cH:19][cH:20][c:21]3[c:22]([n:23]([CH3:42])[c:24]([CH2:26][O:27][c:28]4[cH:29][cH:30][c:31]([CH2:32][CH:33]5[C:34](=[O:39])[NH:35][C:36](=[O:38])[S:37]5)[cH:40][cH:41]4)[n:25]3)[cH:43]2)[cH:44][cH:45]1)[C:53]([c:52]1[cH:51][c:50]([C:46]([CH3:47])([CH3:48])[CH3:49])[c:58]([OH:59])[c:57]([C:60]([CH3:61])([CH3:62])[CH3:63])[cH:56]1)=[O:54]