HRID1221838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID81121

Pyridine, 5-amino-2-methoxy-

C6H8N2O

HCID3280088

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(S(C)(=O)=O)CC4)cnc3F)n2)cc1

HCID66611478

4-[2-fluoro-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

C32H38FN7O4S

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(S(C)(=O)=O)CC4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66610489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f97de6c9a4fe407a907bd9732da432f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH3:72].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:55][Si:56]([N-:57][Si:58]([CH3:59])([CH3:60])[CH3:61])([CH3:62])[CH3:63].[CH3:85][CH2:86][O:87][C:88]([CH3:89])=[O:90].[Cl-:78].[F:1][c:2]1[n:3][cH:4][c:5]([CH:34]([CH3:35])[N:36]2[CH2:37][CH2:38][N:39]([S:42](=[O:43])(=[O:44])[CH3:45])[CH2:40][CH2:41]2)[cH:6][c:7]1-[c:8]1[n:9][c:10]([N:15]([CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:11][c:12]([CH3:14])[n:13]1.[Li+:64].[NH2:46][c:47]1[cH:48][cH:49][c:50]([O:53][CH3:54])[n:51][cH:52]1.[NH4+:79].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH2:91]>>[c:2]1([NH:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[n:51][cH:52]2)[n:3][cH:4][c:5]([CH:34]([CH3:35])[N:36]2[CH2:37][CH2:38][N:39]([S:42](=[O:43])(=[O:44])[CH3:45])[CH2:40][CH2:41]2)[cH:6][c:7]1-[c:8]1[n:9][c:10]([N:15]([CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:11][c:12]([CH3:14])[n:13]1