HRID162104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID84468

Trifluoroacetate

C2F3O2-

HCID134472

N,N-Dimethylsulfamide

C2H8N2O2S

结构：COc1ccc2c(c1)CN(C)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

HCID42640442

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CN(C)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

HCID11562717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b5e7723ef1a4d1589bdbcaf30b94bde
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

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