Hydrochloric Acid → Hydrochloric Acid

HRID 93969

Reaction equation

HRID 93969 reaction equation
[CH3:34][CH:35]([OH:36])[CH2:37][CH2:38][CH3:39].[Cl:24][c:25]1[cH:26][c:27]([F:33])[c:28]([NH2:29])[cH:30][c:31]1[OH:32].[Cl:2][c:3]1[cH:4][n:5][n:6][c:7]2[cH:8][c:9]([O:15][CH2:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:10]([O:13][CH3:14])[cH:11][c:12]12.[ClH:1]>>[ClH:2].[c:3]1([NH:29][c:28]2[c:27]([F:33])[cH:26][c:25]([Cl:24])[c:31]([OH:32])[cH:30]2)[cH:4][n:5][n:6][c:7]2[cH:8][c:9]([O:15][CH2:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:10]([O:13][CH3:14])[cH:11][c:12]12

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 223862-PentanolHCID 1586545-Amino-2-chloro-4-fluorophenolHCID 112786904-Chloro-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)cinnoline

Product 2

HCID 313Hydrochloric AcidHCID 219910334-(4-Chloro-2-fluoro-5-hydroxyanilino)-6-methoxy-7-(3-pyrrolidinopropoxy)cinnoline

Sources & evidence

ORD record
ord-5bd85cbf57e6452e98f7f3efcb731f9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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