HRID674853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)COc1ccc(C=Nc2ccc(Cl)cc2)cc1

HCID86641030

未命名化合物

结构：CC1(C)COC(CSCC(=O)N2C(=O)OCC2c2ccccc2)(c2ccc(Cl)cc2)OC1

HCID178429107

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COC(CSC(C(=O)N2C(=O)OCC2c2ccccc2)C(Nc2ccc(Cl)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccc(Cl)cc2)OC1

HCID91582252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c05101fac804df286120807138a357b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH:62]([CH3:63])[CH3:64])[CH3:65].[CH:71]([OH:72])([CH3:73])[CH3:74].[Cl-:66].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:16][S:17][CH2:18][C:19](=[O:20])[N:21]3[C:22](=[O:32])[O:23][CH2:24][CH:25]3[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[O:9][CH2:10][C:11]([CH3:14])([CH3:15])[CH2:12][O:13]2)[cH:6][cH:7]1.[Cl:33][c:34]1[cH:35][cH:36][c:37]([N:40]=[CH:41][c:42]2[cH:43][cH:44][c:45]([O:46][CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[cH:55][cH:56]2)[cH:38][cH:39]1.[Cl:68][CH2:69][Cl:70].[NH4+:67]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:16][S:17][CH:18]([C:19](=[O:20])[N:21]3[C:22](=[O:32])[O:23][CH2:24][CH:25]3[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH:41]([NH:40][c:37]3[cH:36][cH:35][c:34]([Cl:33])[cH:39][cH:38]3)[c:42]3[cH:43][cH:44][c:45]([O:46][CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[cH:55][cH:56]3)[O:9][CH2:10][C:11]([CH3:14])([CH3:15])[CH2:12][O:13]2)[cH:6][cH:7]1