HRID119533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1

HCID2779790

4-(Morpholine-4-sulfonyl)benzene-1-sulfonyl chloride

C10H12ClNO5S2

结构：O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(=O)N1CCNCC1

HCID57904939

未命名化合物

PRODUCTS

生成物

结构：O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1

HCID57905314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3390539a7c84234ab27301767e52ff3
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

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