HRID103383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID59442002

未命名化合物

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

HCID86644188

未命名化合物

结构：CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCCN3C(=O)CCN(C)C)[nH]c2nccc1-2

HCID178485522

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3ccnc-3[nH]1)N(C(=O)CCN(C)C)CCC2

HCID178486471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a38004f61a245d28dc2230f020e646d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][N:2]([CH2:3][CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][c:13]([O:39][CH3:40])[c:14]([NH:17][c:18]3[n:19][c:20]([NH:27][c:28]4[c:29]([C:30](=[O:31])[NH:32][CH3:33])[c:34]([F:38])[cH:35][cH:36][cH:37]4)[c:21]4[cH:26][cH:25][n:24][c:22]-4[nH:23]3)[cH:15][c:16]21)[CH3:41].[CH3:75][N:76]([CH3:77])[CH2:78][CH2:79][C:80]([N:81]1[c:82]2[c:83]([cH:84][c:85]([O:86][CH3:87])[c:88]([NH2:89])[cH:90]2)[CH2:91][CH2:92][CH2:93]1)=[O:94].[Cl:42][c:43]1[n:44][c:45]([NH:46][c:47]2[cH:48][cH:49][cH:50][c:51]([F:52])[c:53]2[C:54]([NH2:55])=[O:56])[c:57]2[cH:58][cH:59][n:60]([S:61]([c:62]3[cH:63][cH:64][c:65]([CH3:66])[cH:67][cH:68]3)(=[O:69])=[O:70])[c:71]2[n:72]1.[NH4+:73].[OH-:74]>>[CH3:1][N:2]([CH2:3][CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][c:13]([O:39][CH3:40])[c:14]([NH:17][c:18]3[n:19][c:20]([NH:27][c:28]4[c:29]([C:30](=[O:31])[NH2:32])[c:34]([F:38])[cH:35][cH:36][cH:37]4)[c:21]4[cH:26][cH:25][n:24][c:22]-4[nH:23]3)[cH:15][c:16]21)[CH3:41]