HRID1136135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

结构：C[Si](C)(C)N(C(=O)C(F)(F)F)[Si](C)(C)C

HCID65279

Acetamide, 2,2,2-trifluoro-N,N-bis(trimethylsilyl)-

C8H18F3NOSi2

HCID2794622

(3,4-Dichlorophenyl)methanesulfonyl chloride

C7H5Cl3O2S

结构：NCCc1c(CCCc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1

HCID18008506

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-aff8736ff2924e92be7f45b437fc578c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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