HRID194063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID67088871

未命名化合物

结构：COc1ccc(OCCCS(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2F)cc1

HCID67089001

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(OC)c3cc(NC(=O)c4c(Cl)ccc(NS(=O)(=O)CCCOc5ccc(OC)cc5)c4F)cnc32)cc1

HCID67088889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fba16ed5a89d4e8db83907501993b217
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH2:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH:77]([CH3:78])[CH3:79])[CH3:80].[CH3:1][O:2][c:3]1[n:4][n:5]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[n:7][cH:8][c:9]([NH2:12])[cH:10][c:11]12.[Cl:22][c:23]1[cH:24][cH:25][c:26]([NH:33][S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][CH2:39][O:40][c:41]2[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]2)[c:27]([F:32])[c:28]1[C:29](=[O:30])[OH:31].[Cl:81][CH2:82][Cl:83].[ClH:49].[OH2:61].[n:62]1([OH:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[CH3:1][O:2][c:3]1[n:4][n:5]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[n:7][cH:8][c:9]([NH:12][C:29]([c:28]3[c:23]([Cl:22])[cH:24][cH:25][c:26]([NH:33][S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][CH2:39][O:40][c:41]4[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]4)[c:27]3[F:32])=[O:30])[cH:10][c:11]12