HRID961366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CN(c1cccc2cc(C3=NCC4(CCNCC4)S3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135835

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)N1CCC2(CC1)CN=C(c1cc3cccc(N(C)S(=O)(=O)c4cccs4)c3[nH]1)S2

HCID59135606

N,N-dimethyl-2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1-thia-3,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

C23H27N5O3S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9e1db4cb1af40b7874fb0c5d304788a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[s:7][cH:8][cH:9][cH:10]1)[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][c:17]([C:20]3=[N:24][CH2:23][C:22]4([S:21]3)[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]4)[nH:18][c:19]12.[CH3:30][N:31]([C:32](=[O:33])[Cl:34])[CH3:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[s:7][cH:8][cH:9][cH:10]1)[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][c:17]([C:20]3=[N:24][CH2:23][C:22]4([S:21]3)[CH2:25][CH2:26][N:27]([C:32]([N:31]([CH3:30])[CH3:35])=[O:33])[CH2:28][CH2:29]4)[nH:18][c:19]12