HRID672160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20543360

Isocyanatocyclobutane

C5H7NO

结构：COC(=O)C(Cc1ccc(Oc2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID76761558

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Oc2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)NC1CCC1)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID178499938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87c3544d07864c00b33591b57675afa8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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