Hydrochloric Acid → HCID 56969195, compound

HRID 95135Notes

Reaction equation

HRID 95135 reaction equation
[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[Cl:49][CH2:50][Cl:51].[ClH:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[s:1]1[c:2](-[c:6]2[n:7][c:8]3[n:9]([c:23]2-[c:24]2[cH:25][cH:26][c:27]([C:30]4([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:31][CH2:32][CH2:33]4)[cH:28][cH:29]2)-[c:10]2[c:11]([n:19][cH:20][cH:21][cH:22]2)[NH:12][c:13]2[c:14]-3[cH:15][cH:16][cH:17][cH:18]2)[n:3][cH:4][cH:5]1>>[s:1]1[c:2](-[c:6]2[n:7][c:8]3[n:9]([c:23]2-[c:24]2[cH:25][cH:26][c:27]([C:30]4([NH2:34])[CH2:31][CH2:32][CH2:33]4)[cH:28][cH:29]2)-[c:10]2[c:11]([n:19][cH:20][cH:21][cH:22]2)[NH:12][c:13]2[c:14]-3[cH:15][cH:16][cH:17][cH:18]2)[n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 68067420tert-butyl (1-{4-[2-(1,3-thiazol-2-yl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate

Product 1

HCID 56969195HCID 56969195, compound

Sources & evidence

ORD record
ord-41ba4a421630479b9a9baacf909c3ac1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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