HRID2151151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID53414764

1-(6-Amino-5-methoxy-2,3-dihydro-1H-indol-1-yl)-2-(dimethylamino)ethan-1-one

C13H19N3O2

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Nc4cccc(F)c4C(N)=O)nc(Cl)nc32)cc1

HCID86644188

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n1)N(C(=O)CN(C)C)CC2

HCID59441720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d7e17b8fa314b03b02a013c3155886d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:32][N:33]([CH3:34])[CH2:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][c:41]2[cH:42][c:43]([O:48][CH3:49])[c:44]([NH2:47])[cH:45][c:46]21.[CH3:70][OH:71].[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH2:26])[c:27]([F:31])[cH:28][cH:29][cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2.[ClH:50].[NH4+:64].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:63].[OH:57][CH2:58][C:59]([F:60])([F:61])[F:62]>>[c:2]1([NH:47][c:44]2[c:43]([O:48][CH3:49])[cH:42][c:41]3[c:46]([cH:45]2)[N:38]([C:36]([CH2:35][N:33]([CH3:32])[CH3:34])=[O:37])[CH2:39][CH2:40]3)[n:3][c:4]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH2:26])[c:27]([F:31])[cH:28][cH:29][cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2