HRID1537503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID12902790

[(Isoquinolin-5-yl)oxy]acetic acid

C11H9NO3

结构：Cc1ccccc1CNC(=O)C1N(C(=O)C(O)C(Cc2ccccc2)NC(=O)C(N)C(C)C)CSC1(C)C

HCID178424269

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1CNC(=O)C1N(C(=O)C(O)C(Cc2ccccc2)NC(=O)C(NC(=O)COc2cccc3cnccc23)C(C)C)CSC1(C)C

HCID178424270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-275ed7a9ee37411e80ccae7a1c41a491
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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