Hydrochloric Acid → HCID 66829879, compound

HRID 311275Notes

Reaction equation

HRID 311275 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH2:51]([O:52][CH2:53][CH3:54])[CH3:55].[CH3:46][O:47][CH2:48][CH2:49][OH:50].[CH3:66][OH:67].[Cl:20][c:21]1[n:22][cH:23][c:24]([Cl:38])[c:25]([NH:27][c:28]2[c:29]([C:30](=[O:31])[NH:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[n:26]1.[Cl:56][CH2:57][Cl:58].[Cl:63][CH2:64][Cl:65].[ClH:39].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[CH2:6][CH2:7][N:8]([CH2:11][CH:12]([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:9][CH2:10]2.[O-:59][C:60](=[O:61])[O-:62]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[CH2:6][CH2:7][N:8]([CH2:11][CH:12]([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:9][CH2:10]2)[c:21]1[n:22][cH:23][c:24]([Cl:38])[c:25]([NH:27][c:28]2[c:29]([C:30](=[O:31])[NH:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[n:26]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3283Diethyl EtherHCID 6344Dichloromethane2×HCID 80192-MethoxyethanolHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 672640623-(7-Amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 66829879HCID 66829879, compound

Sources & evidence

ORD record
ord-57f93f7478724cef89d17c5fdd73735e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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