HRID2311640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID59441824

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

C11H14N2O2

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(C)=O)CC2

HCID59441879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a687856451a4718b6c93859e81e8a64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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