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Hydrochloric Acid → HCID 68706946, 화합물

HRID 1238015
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HRID 1238015 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:17]2[n:18][c:19]([C:34]#[N:35])[n:20][c:21]([Cl:33])[c:22]2[C:23]([NH:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:32])[CH2:12][CH2:13]1.[CH2:37]1[CH2:38][C:39]12[CH2:40][CH2:41][CH:42]([CH2:45][NH2:46])[CH2:43][CH2:44]2.[CH3:53][C:54]#[N:55].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[ClH:36].[K+:47].[K+:48].[O-:49][C:50]([O-:51])=[O:52].[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:17]2[n:18][c:19]([C:34]#[N:35])[n:20][c:21]([NH:46][CH2:45][CH:42]3[CH2:41][CH2:40][C:39]4([CH2:37][CH2:38]4)[CH2:44][CH2:43]3)[c:22]2[C:23]([NH:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:32])[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 509989951-(Spiro[2.5]octan-6-yl)methanamine
HCID 86627803
HCID 86627803, 화합물

생성물 1

HCID 68706946HCID 68706946, 화합물

출처 및 근거

ORD 기록
ord-4272357e1fed404889399f778e231784
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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