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Water → HCID 178436457, 화합물

HRID 2145352
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HRID 2145352 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:18]([O:19][SiH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[CH:11]([CH2:13][NH:14][CH:15]([CH3:16])[CH3:17])[CH2:12]1.[CH2:27]([CH3:28])[c:29]1[c:30]([O:38][CH2:39][CH2:40][CH2:41][O:42][CH3:43])[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[OH2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:18]([O:19][SiH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[CH:11]([CH2:13][N:14]([CH:15]([CH3:16])[CH3:17])[C:33]([c:32]2[cH:31][c:30]([O:38][CH2:39][CH2:40][CH2:41][O:42][CH3:43])[c:29]([CH2:27][CH3:28])[cH:37][cH:36]2)=[O:34])[CH2:12]1
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6

반응물 5

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 573555384-Ethyl-3-(3-methoxypropoxy)benzoic acidHCID 178457091HCID 178457091, 화합물

생성물 1

HCID 178436457HCID 178436457, 화합물

출처 및 근거

ORD 기록
ord-c7dbe996f34f4d77999f6ed68ffb1686
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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