Hydrochloric Acid → HCID 57677315, compound

HRID 700564Notes

Reaction equation

HRID 700564 reaction equation
[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:17][C:18](=[O:19])[O:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[ClH:27].[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][cH:12]2)[cH:14][cH:15]1.[NH:28]1[CH2:29][CH2:30][CH2:31]1.[Na+:32].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:47].[OH:33][C:34](=[O:35])[O-:36]>>[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:18](=[O:19])[N:28]3[CH2:29][CH2:30][CH2:31]3)[n:10][cH:11][cH:12]2)[cH:14][cH:15]1

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10422AzetidineHCID 15891Phenyl chloroformateHCID 229367984-(4-Amino-3-chlorophenoxy)pyridin-2-ylamine

Product 1

HCID 57677315HCID 57677315, compound

Sources & evidence

ORD record
ord-7842d0fa40574f20ac6ff0d930433d18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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