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Hydrochloric Acid → Hydrochloric Acid

HRID 1118844
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HRID 1118844 반응식
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:62][OH:63].[CH:58]([Cl:59])([Cl:60])[Cl:61].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH:11]2[CH2:12][n:13]3[c:14](=[O:24])[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1.[Na+:57].[O:32]1[CH2:33][CH2:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([CH:42]=[O:43])[cH:40][c:41]21>>[ClH:1].[NH:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH:11]2[CH2:12][n:13]3[c:14](=[O:24])[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1)[CH2:42][c:39]1[cH:38][cH:37][c:36]2[c:41]([cH:40]1)[O:32][CH2:33][CH2:34][CH2:35]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 8

HCID 313Hydrochloric Acid2회HCID 887MethanolHCID 923Sodium IonHCID 6212ChloroformHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 580017221-[(4-Amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione
HCID 60209734
3,4-dihydro-2H-1-benzopyran-7-carbaldehyde

생성물 2

HCID 313Hydrochloric AcidHCID 775289682-[[4-(3,4-dihydro-2H-chromen-7-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

출처 및 근거

ORD 기록
ord-7b27ae0cffd24d269dbded4a731ec6c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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