HRID806833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

HCID11239705

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

HCID9853499

4-{3-[5-Chloro-2-(2-{[(3,4-dichlorophenyl)methanesulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid

C40H35Cl3N2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b7375a42a004e58be88954e3225fddb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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