Hydrochloric Acid → HCID 46701185, compound

HRID 2136853Notes

Reaction equation

HRID 2136853 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[ClH:44].[NH2:1][c:2]1[n:3][c:4]([N:37]2[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]2)[cH:5][c:6]([N:8]2[CH2:9][c:10]3[cH:11][c:12](-[c:18]4[cH:19][n:20][c:21]([N:24]5[CH2:25][CH2:26][N:27]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:28][CH2:29]5)[n:22][cH:23]4)[cH:13][cH:14][c:15]3[CH2:16][CH2:17]2)[n:7]1.[OH2:51]>>[NH2:1][c:2]1[n:3][c:4]([N:37]2[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]2)[cH:5][c:6]([N:8]2[CH2:9][c:10]3[cH:11][c:12](-[c:18]4[cH:19][n:20][c:21]([N:24]5[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]5)[n:22][cH:23]4)[cH:13][cH:14][c:15]3[CH2:16][CH2:17]2)[n:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 312751,4-DioxaneHCID 46701123HCID 46701123, compound

Product 1

HCID 46701185HCID 46701185, compound

Sources & evidence

ORD record
ord-aea836df1a6040f7941f0807b8964461
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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