Hydrochloric Acid → HCID 54157151, compound

HRID 87597Notes

Reaction equation

HRID 87597 reaction equation
[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][cH:17][c:18](-[c:21]3[n:22][n:23]4[c:24]([s:25]3)[n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]3)[cH:28]4)[cH:19][cH:20]2)[CH2:13][CH2:14]1.[Cl:60][CH2:61][Cl:62].[ClH:48].[OH:38][n:39]1[n:40][n:41][c:42]2[c:43]1[cH:44][cH:45][cH:46][cH:47]2>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][cH:17][c:18](-[c:21]3[n:22][n:23]4[c:24]([s:25]3)[n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:33]([O:34][n:39]5[n:40][n:41][c:42]6[c:43]5[cH:44][cH:45][cH:46][cH:47]6)=[O:35])[cH:36][cH:37]3)[cH:28]4)[cH:19][cH:20]2)[CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 224929354-[2-[4-[4-(5-Methoxypentyloxy)-piperidin-1-yl]phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid

Product 1

HCID 54157151HCID 54157151, compound

Sources & evidence

ORD record
ord-b6b0968facac45918668e6aa0daeeed1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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