HRID105511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18516108

4-Chlorothieno[2,3-c]pyridine-2-carboxylic acid

C8H4ClNO2S

结构：CC(C)(C)[Si](C)(C)OC(Cc1ccccc1)C(=O)O

HCID19765118

未命名化合物

HCID22128831

Isoquinoline-6-carboxylic acid

C10H7NO2

HCID59694446

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3cnccc3c2)s1

HCID67089607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f0349791dcb49f6a375b9f7110b8796
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([CH3:18])[CH3:19].[CH2:21]([N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[CH3:31].[Cl:71][c:72]1[cH:73][n:74][cH:75][c:76]2[s:77][c:78]([C:79]([OH:80])=[O:81])[cH:82][c:83]12.[ClH:20].[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1.[cH:42]1[n:43][cH:44][cH:45][c:46]2[cH:47][c:48](-[c:52]3[n:53][n:54][c:55]([NH2:57])[s:56]3)[cH:49][cH:50][c:51]12.[cH:58]1[c:59]2[c:60]([cH:61][c:62]([C:63]([OH:64])=[O:65])[cH:66][cH:67]2)[cH:68][cH:69][n:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([C:8](=[O:10])[NH:57][c:55]1[n:54][n:53][c:52](-[c:48]2[cH:47][c:46]3[cH:45][cH:44][n:43][cH:42][c:51]3[cH:50][cH:49]2)[s:56]1)[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([CH3:18])[CH3:19]