HRID151855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID62406

未命名化合物

HCID83127

2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-

C7H13NO2

结构：CC(C)CC1C(=O)OC(Cc2ccccc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)CN(C)C(CC(C)C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)CN1C

HCID22628884

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC1C(=O)OC(Cc2ccc(CN3CCCCCC3=O)cc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)CN(C)C(CC(C)C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)CN1C

HCID22628914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a3920f5b0e249ac880b13e3cd0f0761
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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