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Acetone → 3-benzyl-2-[(N-cyclohexylcarbamoyl)-imino]benzothiazole

HRID 89662
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HRID 89662 반응식
[C:18]([O-:19])(=[O:20])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[C:32]([O-:33])(=[O:34])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[NH:17])[s:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[CH2:46]([Sn+2:47][CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:65][C:66](=[O:67])[CH3:68].[O:55]=[C:56]=[N:57][CH:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:64]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[N:17][C:56](=[O:55])[NH:57][CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)[s:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 962WaterHCID 18502Cyclohexyl isocyanateHCID 6775663-Benzyl-2-iminobenzothiazoleHCID 4149208Dodecanoate2회HCID 9543249(Dibutyl)stannane

생성물 1

HCID 54467310
3-benzyl-2-[(N-cyclohexylcarbamoyl)-imino]benzothiazole

출처 및 근거

ORD 기록
ord-5f6f13f720154d9284d17cd1552f5310
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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